SCHEMBL3077903

SCHEMBL3077903

CC(=O)c1cnn2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
PIK3CA P42336 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
EIF4A3 P38919 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
EPHB3 P54753 6/20 0.40
TYK2 P29597 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
TGFBR1 P36897 2/20 0.38
PDGFRA P16234 1/20 0.37
CDK5 Q00535 1/20 0.37
TYRO3 Q06418 1/20 0.37

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
SCHEMBL3089211 0.85 EIF4A3 (0.45) NPC1RAB9AKDM4ETP53PIK3CA
SCHEMBL17067855 0.84 TGFBR1 (0.49) PIK3CAPIK3CDPIK3CBEIF4A3EPHB3
SCHEMBL31030385 0.84 EIF4A3 (0.47) NPC1RAB9AKDM4ETP53PIK3CA
SCHEMBL26979770 0.83 EPHB3 (0.46) NPC1RAB9AKDM4ETP53PIK3CA
SCHEMBL3701396 0.83 PIK3CA (0.50) NPC1RAB9AKDM4ETP53PIK3CA
SCHEMBL25336177 0.83 EPHB3 (0.44) KDM4EPIK3CAPIK3CDPIK3CBEIF4A3
SCHEMBL25158912 0.83 ALDH1A1 (0.45) NPC1RAB9AKDM4ETP53PIK3CA
SCHEMBL3701397 0.83 PIK3CA (0.50) NPC1RAB9AKDM4ETP53PIK3CA
SCHEMBL13139955 0.82 EPHB3 (0.56) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL3606337 0.82 NPC1 (0.45) NPC1RAB9AKDM4ETP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 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
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
WO-2010074586-A1 PYRAZOLO[1,5-A]PYRIDINE AND IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-07-01 WO disclosed
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 WO 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 (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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 NPC1 718/4885RAB9A 3016/4885KDM4E 3806/4885
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD NPC1 3271/4885RAB9A 1073/4885KDM4E 2333/4885

“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.