SCHEMBL510587

SCHEMBL510587

C#Cc1cc(F)cnc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
FLT1 P17948 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30
FLT3 P36888 1/20 0.30
MAPK8 P45983 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL921763 0.79 KHK (0.43) MAP4K4CSNK1A1CLK4HTTKMT2A
SCHEMBL30937717 0.79 KHK (0.43) MAP4K4CSNK1A1CLK4HTTKMT2A
SCHEMBL15196347 0.76
SCHEMBL18236353 0.76 HTT (0.32) HTTKMT2A
SCHEMBL2039210 0.76 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL1748895 0.75 IDO1 (0.39) PTPN1PTPN6PTPN11MAP4K4CSF1R
SCHEMBL4877753 0.75 NOS3 (0.54) PTPN1PTPN6PTPN11MAP4K4HTT
SCHEMBL10017418 0.75 KMT2A (0.54) PTPN1PTPN6PTPN11DAPK3MAP4K4
SCHEMBL21942910 0.75 HTT (0.31) HTTKMT2A
SCHEMBL1748589 0.73 NOS3 (0.34) NOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345700-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-31 US disclosed
US-20200207765-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2020-07-02 US disclosed
US-10640501-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-05 US disclosed
EP-3421468-A2 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-02 EP disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
EP-3068782-B1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-05-23 EP disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
WO-2015073481-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 WO disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 PTPN1 308/4885PTPN6 410/4885PTPN11 276/4885
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H PTPN1 1392/4885PTPN6 1862/4885PTPN11 1607/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 PTPN1 4024/4885PTPN6 3651/4885PTPN11 3864/4885
US-10640501-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H PTPN1 1392/4885PTPN6 1862/4885PTPN11 1607/4885
US-11345700-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H PTPN1 1392/4885PTPN6 1862/4885PTPN11 1607/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H PTPN1 1392/4885PTPN6 1862/4885PTPN11 1607/4885
US-20200207765-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H PTPN1 1392/4885PTPN6 1862/4885PTPN11 1607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.