SCHEMBL6924704

SCHEMBL6924704

O=Cc1ccc2[nH]c3cncnc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
CYP2A6 P11509 2/20 0.36
TTK P33981 1/20 0.35
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CHUK O15111 3/20 0.33
BRAF P15056 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL29951311 1.00 KIF11 (0.51) KIF11CYP2A6TTKHDAC1KDM4E
SCHEMBL2628327 0.76 KDM4E (0.55) KIF11KDM4EALDH1A1MAPTMAPK1
SCHEMBL6299735 0.76 KIF11 (0.81) KIF11CYP2A6KDM4EALDH1A1MAPT
SCHEMBL6925164 0.75 KIF11 (0.63) KIF11TTKKDM4EALDH1A1CHUK
SCHEMBL29669815 0.75 KDM4E (0.48) KIF11KDM4EALDH1A1MAPTPOLB
SCHEMBL6826347 0.74 GABRA1 (0.58) KIF11ALDH1A1MAPTPOLB
SCHEMBL30961885 0.74 KDM4E (0.63) KIF11KDM4EALDH1A1MAPTMAPK1
SCHEMBL31219220 0.73 CHUK (0.60) KDM4EALDH1A1MAPTCHUKPOLB
Benzene SCHEMBL28184721 0.73 KIF11 (0.81) KIF11CYP2A6TTKKDM4EALDH1A1
SCHEMBL2391060 0.72 GABRA1 (0.53) KDM4EALDH1A1MAPK1CHUK

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-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds SUGEN, INC. 2003-10-30 US disclosed
US-6514981-B1 By contacting cells expressing said protein tyrosine kinase with compound SUGEN, INC. 2003-02-04 US 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-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds LCK, ABL1, PNCK KIF11 3404/4885CYP2A6 4366/4885TTK 142/4885

“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.