SCHEMBL3979203

SCHEMBL3979203

Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.56
BRAF P15056 2/20 0.52
PIP4K2A P48426 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46
CAMKK2 Q96RR4 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MTOR P42345 4/20 0.43
FGFR1 P11362 3/20 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
SCHEMBL3975603 0.87 PIP4K2A (0.49) PIK3CABRAFPIP4K2APIP4K2CCAMKK2
SCHEMBL3977704 0.79 PIK3CA (0.51) PIK3CABRAFPIP4K2APIP4K2CCAMKK2
SCHEMBL3978660 0.75 CAMKK2 (0.47) BRAFCAMKK2ALDH1A1KDM4EPOLB
SCHEMBL4188384 0.73 BRAF (0.63) PIK3CABRAFALDH1A1KDM4ESMN1; SMN2
SCHEMBL3978515 0.73 PIK3CA (0.51) PIK3CABRAFPIP4K2APIP4K2CALDH1A1
SCHEMBL4198556 0.73 CNR1 (0.62) BRAFKDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL4188391 0.72 BRAF (0.61) PIK3CABRAFPIP4K2APIP4K2CKDM4E
SCHEMBL4199752 0.71 BRAF (0.82) PIK3CABRAFRAB9AMEN1KMT2A
SCHEMBL4195978 0.71 BRAF (0.76) PIK3CABRAFALDH1A1KDM4ESMN1; SMN2
SCHEMBL4466113 0.70 TEK (0.81) PIP4K2CALDH1A1KDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 PIK3CA 59/4885BRAF 1/4885PIP4K2A 203/4885

“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.