Sugi Predict

Sugi Predict / Compounds / SCHEMBL4877753

SCHEMBL4877753

SCHEMBL4877753

C#Cc1cc(C)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.54
▸ NOS2 P35228 4/20 0.54
▸ NOS1 P29475 3/20 0.54
▸ CYP2A6 P11509 2/20 0.39
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ P2RX3 P56373 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ UHRF1 Q96T88 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ MAP4K4 O95819 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
SCHEMBL6488816 0.88 MAP4K4 (0.44) NOS3NOS2NOS1CYP2A6CYP1A2
SCHEMBL625135 0.79 NOS3 (0.54) NOS3NOS2NOS1CYP2A6P2RX3
SCHEMBL31695297 0.79 NOS3 (0.54) NOS3NOS2NOS1CYP2A6P2RX3
SCHEMBL18053335 0.78 NOS3 (0.52) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL1713842 0.76 NOS3 (0.50) NOS3NOS2NOS1CYP2A6CCR1
SCHEMBL5764241 0.76 NOS3 (0.32) NOS3NOS2NOS1PTPN1PTPN6
SCHEMBL510587 0.75 PTPN1 (0.33) NOS3NOS2NOS1PTPN1PTPN6
SCHEMBL10017418 0.75 KMT2A (0.54) NOS3NOS2NOS1PTPN1PTPN6
SCHEMBL1748895 0.75 IDO1 (0.39) NOS3NOS2NOS1PTPN1PTPN6
SCHEMBL13204736 0.73 NOS3 (0.47) NOS3NOS2NOS1CYP2A6CCR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851437-A2 METHODS OF PREPARING 1H-PYRROLO[2,3-B]PYRIDINE DERIVATES Vertex Pharmaceuticals Incorporated (US) 2021-07-21 — — EP disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 — — US disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 — — US disclosed
US-8741920-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2014-06-03 — — US disclosed
US-8530661-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE, INC. (US) 2013-09-10 — — US disclosed
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. 2013-01-03 — — US disclosed
US-20130005978-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS HILDBRAND STEFAN (CH) 2013-01-03 — — US disclosed
US-8329724-B2 Process for the manufacture of pharmaceutically active compounds HOFFMANN-LA ROCHE INC. (US) 2012-12-11 — — US disclosed
US-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 — — 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
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

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-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 NOS3 1760/4885NOS2 2779/4885NOS1 2499/4885
US-20110028511-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP2F1, CYP1B1, CYP7A1 NOS3 2746/4885NOS2 2111/4885NOS1 1352/4885
US-20130005978-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP4B1, PCSK9, CYP1B1 NOS3 4083/4885NOS2 4014/4885NOS1 3557/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 NOS3 106/4885NOS2 125/4885NOS1 137/4885
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H NOS3 4296/4885NOS2 4328/4885NOS1 3886/4885
US-20130005761-A1 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP1B1, CYP4B1, CYP2C19 NOS3 3272/4885NOS2 2786/4885NOS1 2165/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H NOS3 4296/4885NOS2 4328/4885NOS1 3886/4885

“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.