SCHEMBL18464470

SCHEMBL18464470

C=C(CC)c1cnc2cc(F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.36
▸ HDAC3 O15379 3/20 0.35
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HDAC2 Q92769 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GABRA1 P14867 1/20 0.32

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
SCHEMBL18463860 0.83 KDM4E (0.43) KDM4EKMT2AHDAC3PDGFRBPDGFRA
SCHEMBL18463872 0.82 ALDH1A1 (0.37) TSHRPIK3CAALDH1A1HPGDALOX15
SCHEMBL18463932 0.76 KDM4E (0.43) KDM4EKMT2AHDAC3PDGFRBPDGFRA
SCHEMBL6084225 0.74 ALDH1A1 (0.61) KDM4EKMT2AHDAC3ALDH1A1HPGD
SCHEMBL101566 0.70 KMT2A (0.48) KDM4EKMT2ACYP11B1CYP11B2PDGFRB
SCHEMBL2724939 0.70 KDM4E (0.55) KDM4EKMT2APDGFRBPDGFRAMAPK10
SCHEMBL1258593 0.66 ALDH1A1 (0.52) KDM4EKMT2ACYP11B1CYP11B2PDGFRB
SCHEMBL29880393 0.66 BACE1 (0.55) KDM4EKMT2APDGFRBPDGFRAPIK3CA
SCHEMBL21937786 0.66 KDM4E (0.42) KDM4EKMT2ACYP11B1CYP11B2PDGFRB
SCHEMBL29234177 0.66 KDM4E (0.42) KDM4EKMT2APDGFRBPDGFRAMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 — — 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-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 KDM4E 3361/4885KMT2A 4323/4885HDAC3 1865/4885

“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.

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