SCHEMBL4978593

SCHEMBL4978593

O=C(Nc1cnc2ccncc2c1)c1cccnc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.52
KDR P35968 10/20 0.50
FLT1 P17948 1/20 0.50
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.45
LCLAT1 Q6UWP7 1/20 0.44
PRKCI P41743 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43

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
SCHEMBL4970116 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDR
SCHEMBL4968157 0.80 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1LCLAT1
SCHEMBL4600539 0.76 KMT2A (0.63) NPC1RAB9AALDH1A1KDRPRKCI
SCHEMBL4970426 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDR
SCHEMBL3958525 0.74 KDR (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDR
SCHEMBL3951467 0.74 TRPV1 (0.51) NPC1RAB9AALDH1A1KDRFLT1
SCHEMBL4599740 0.74 PRKCI (0.67) NPC1RAB9AALDH1A1KDRLCLAT1
SCHEMBL3959565 0.73 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL1720895 0.73 KCNQ3 (0.59) ALDH1A1
SCHEMBL4976457 0.72 KDR (0.47) NPC1RAB9ASMN1; SMN2KDRFLT1

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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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 (1 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS NPC1 176/4885RAB9A 2012/4885SMN1; SMN2 2119/4885

“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.