SCHEMBL2266045

SCHEMBL2266045

CCn1cnc(-c2cccc(Cc3nn(-c4ccc(F)c(F)c4)ccc3=O)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.34
HDAC6 Q9UBN7 10/20 0.34
XPO1 O14980 2/20 0.31
APLNR P35414 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL2220586 0.93 HDAC1 (0.33) HDAC1HDAC6XPO1APLNRCYP1A2
SCHEMBL13275092 0.86 GRIN2B (0.39) APLNR
SCHEMBL12517654 0.85 HDAC1 (0.35) HDAC1HDAC6
SCHEMBL2265889 0.84 HDAC1 (0.37) HDAC1HDAC6ALDH1A1HPGDPOLB
SCHEMBL13274906 0.84 IGF1R (0.34) HDAC1HDAC6KDM4EALDH1A1LMNA
SCHEMBL13275134 0.84 GRM5 (0.39) ALDH1A1
SCHEMBL2262984 0.83 IGF1R (0.36) HDAC1HDAC6
SCHEMBL13274575 0.83 HDAC1 (0.33) HDAC1HDAC6
SCHEMBL2267731 0.82 HSD17B13 (0.38) APLNRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13275074 0.80 IGF1R (0.35) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 HDAC1 1393/4885HDAC6 1298/4885XPO1 3358/4885

“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.