SCHEMBL3082490

SCHEMBL3082490

O=C(CBr)c1cnn2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
EPHB3 P54753 5/20 0.51
HTT P42858 3/20 0.51
RIPK2 O43353 1/20 0.51
LCK P06239 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KLF5 Q13887 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 2/20 0.50
SLC27A1 Q6PCB7 1/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL20229813 0.84 NPC1 (0.58) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13210075 0.84 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1856999 0.81 EPHB3 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL416200 0.80 EPHB3 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3073510 0.78 EIF4A3 (0.43) NPC1RAB9AKDM4EEPHB3TP53
Hydrochloric Acid SCHEMBL19119427 0.78 EPHB3 (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1286674 0.78 NPC1 (0.68) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1044120 0.78 EPHB3 (0.58) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11300658 0.78 EPHB3 (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL30152645 0.78 EPHB3 (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP claimed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO claimed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
EP-1836201-B1 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2010-08-11 EP disclosed
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 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 (4 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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885NPC1 3314/4885RAB9A 1344/4885
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD ALDH1A1 588/4885NPC1 3271/4885RAB9A 1073/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885NPC1 3314/4885RAB9A 1344/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885NPC1 3314/4885RAB9A 1344/4885

“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.