SCHEMBL6204558

SCHEMBL6204558

N#Cc1ccc(CC(C(=O)c2ccc(Cl)cc2)n2cncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP11B1 P15538 1/20 0.46
TSHR P16473 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
S1PR3 Q99500 1/20 0.44

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
SCHEMBL6222574 0.86 CYP19A1 (0.49) CYP19A1MEN1KMT2ACYP3A4MAPT
SCHEMBL6202493 0.86 MAPT (0.60) CYP19A1MEN1KMT2ACYP3A4MAPT
SCHEMBL10879896 0.85 CYP19A1 (0.49) CYP19A1MEN1KMT2ACYP3A4MAPT
SCHEMBL6223782 0.82 HSP90AA1 (0.53) CYP19A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL10799731 0.78 CYP19A1 (0.48) CYP19A1MEN1KMT2ACYP3A4MAPT
SCHEMBL8104836 0.78 CYP19A1 (0.66) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL11076165 0.77 MAPT (0.59) CYP19A1MEN1KMT2ACYP3A4TSHR
SCHEMBL10418945 0.77 HSP90AA1 (0.48) CYP19A1MEN1KMT2ACYP3A4MAPT
SCHEMBL10468609 0.77 KMT2A (0.56) CYP19A1MEN1KMT2ACYP3A4TSHR
SCHEMBL6202608 0.76 MAPT (0.67) CYP19A1MEN1KMT2ACYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 CYP19A1 556/4885MEN1 3345/4885KMT2A 750/4885

“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.