SCHEMBL4976890

SCHEMBL4976890

O=C(Nc1ccc2ncccc2c1)c1cccnc1NCc1ccnc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 6/20 0.51
HTT P42858 1/20 0.47
PDPK1 O15530 1/20 0.47
PABPC1 P11940 1/20 0.47
MET P08581 2/20 0.46
KDR P35968 8/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL4977326 0.93 MET (0.49) NPC1RAB9APDPK1METKDR
SCHEMBL4974088 0.88 KDR (0.49) PDPK1METKDR
SCHEMBL4976457 0.86 KDR (0.47) NPC1RAB9APDPK1METKDR
SCHEMBL4979584 0.84 RAB9A (0.47) NPC1RAB9APDPK1METKDR
SCHEMBL4973733 0.82 DHPS (0.52) HTTPDPK1METKDRMEN1
SCHEMBL4972995 0.82 KDR (0.64) HTTPDPK1METKDRMEN1
SCHEMBL4974546 0.81 MET (0.47) NPC1RAB9AHTTPDPK1MET
SCHEMBL5417962 0.81 KDR (0.55) PDPK1METKDRMEN1MAPT
SCHEMBL4972318 0.80 KDR (0.46) PDPK1METKDR
SCHEMBL4974477 0.80 KDR (0.69) PDPK1METKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP claimed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
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-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
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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
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 2012/4885HTT 1908/4885

“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.