SCHEMBL6133315

SCHEMBL6133315

CC(C)n1nc(CC(=O)c2ccc(F)cc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.40
PTPN1 P18031 1/20 0.38
HTR7 P34969 1/20 0.38
GSK3B P49841 1/20 0.36
RAD52 P43351 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 2/20 0.35
P2RX7 Q99572 1/20 0.35
PLOD2 O00469 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6134144 0.86 MEN1 (0.43) PTPN1GSK3BKMT2AALDH1A1MEN1
SCHEMBL6133646 0.80 PTPN1 (0.39) RAB9ANPC1PTPN1GSK3BGAA
SCHEMBL6133926 0.77 NPSR1 (0.44) RAB9ANPC1GAASMN1; SMN2KMT2A
SCHEMBL23370058 0.74 POLB (0.36) SMN1; SMN2KDM4EALDH1A1POLBP2RX7
SCHEMBL6539165 0.74 POLB (0.38) RAB9ANPC1GAASMN1; SMN2KMT2A
SCHEMBL4240705 0.74 LMNA (0.47) RAB9ANPC1GAASMN1; SMN2KMT2A
SCHEMBL5149065 0.72 ADORA2A (0.34) RAB9ANPC1SMN1; SMN2HDAC6ALDH1A1
SCHEMBL6134009 0.69 CES2 (0.35) SMN1; SMN2HDAC6KMT2AMEN1
SCHEMBL9661934 0.68 RAB9A (0.66) RAB9ANPC1PTPN1HTR7SMN1; SMN2
SCHEMBL11403155 0.68 CA1 (0.45) HTR7HDAC6KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (2 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 RAB9A 1824/4885NPC1 4182/4885PTPN1 2846/4885
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR RAB9A 1067/4885NPC1 2391/4885PTPN1 407/4885

“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.