SCHEMBL18463932

SCHEMBL18463932

C=C(C)c1cnc2ccc(F)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ CSF1R P07333 1/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ PDGFRB P09619 2/20 0.36
▸ PDGFRA P16234 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ TGFBR1 P36897 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ ALPI P09923 1/20 0.32
▸ ALPG P10696 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 0.93 KDM4E (0.43) KDM4ECSF1RKMT2APDGFRBPDGFRA
SCHEMBL2621767 0.80 CSF1R (0.42) CSF1RALDH1A1HPGDALOX15HSD17B10
SCHEMBL18463775 0.77 KDM4E (0.39) KDM4EKMT2APDGFRBPDGFRADYRK1A
SCHEMBL13134246 0.77 ALDH1A1 (0.58) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL18464470 0.76 KDM4E (0.40) KDM4EKMT2APDGFRBPDGFRAALDH1A1
SCHEMBL18463877 0.76 BACE1 (0.50) KDM4EKMT2AALDH1A1HPGDDYRK1A
SCHEMBL18463765 0.73 PABPC1 (0.39) CSF1RALDH1A1HPGDALOX15HSD17B10
SCHEMBL19674039 0.73 KMT2A (0.48) KDM4EKMT2APDGFRBPDGFRAHSD17B10
SCHEMBL621588 0.73 KDM4E (0.55) KDM4EKMT2APDGFRBPDGFRAALDH1A1
SCHEMBL28258845 0.72 KDM4E (0.48) KDM4EKMT2APDGFRBPDGFRAALDH1A1

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 3361/4885CSF1R 1125/4885KMT2A 4323/4885

“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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