SCHEMBL18463935

SCHEMBL18463935

CC(C)(C)C(C)(c1cnc2ccc(F)cc2n1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ PDGFRB P09619 2/20 0.36
▸ PDGFRA P16234 2/20 0.36
▸ GRM5 P41594 5/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ HDAC4 P56524 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
SCHEMBL18463859 0.93 KDM4E (0.40) KDM4EKMT2APDGFRBPDGFRAGRM5
SCHEMBL18463970 0.81 KDM4E (0.36) KDM4EKMT2APDGFRBPDGFRAGRM5
SCHEMBL18463972 0.80 FGFR3 (0.44) KDM4EKMT2APDGFRBPDGFRACYP3A4
SCHEMBL18463779 0.77 AR (0.35) KDM4EKMT2APDGFRBPDGFRABACE1
SCHEMBL18463883 0.76 BACE1 (0.50) KDM4EKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL18463934 0.75 KDM4E (0.36) KDM4EKMT2APDGFRBPDGFRAGRM5
SCHEMBL18463780 0.73 HRH4 (0.46) KDM4EKMT2APDGFRBPDGFRAGRM5
SCHEMBL19674039 0.73 KMT2A (0.48) KDM4EKMT2APDGFRBPDGFRABACE1
SCHEMBL28258845 0.72 KDM4E (0.48) KDM4EKMT2APDGFRBPDGFRACYP3A4
SCHEMBL621588 0.69 KDM4E (0.55) KDM4EKMT2APDGFRBPDGFRAGRM5

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-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 — — US disclosed
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 (2 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-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 KDM4E 3361/4885KMT2A 4323/4885PDGFRB 860/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 KDM4E 3361/4885KMT2A 4323/4885PDGFRB 860/4885

“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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