SCHEMBL22185811

SCHEMBL22185811

CC(C)c1cn(CC2CCN(C)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.49
▸ PHF8 Q9UPP1 1/20 0.38
▸ CHRM3 P20309 2/20 0.37
▸ KDM4C Q9H3R0 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ CPB2 Q96IY4 3/20 0.33
▸ CPB1 P15086 2/20 0.33
▸ USP1 O94782 1/20 0.33
▸ WDR48 Q8TAF3 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL22198925 0.80 KDM2B (0.52) KDM2BPHF8CHRM3KDM4CNCF1
SCHEMBL21047350 0.79 KDM2B (0.40) KDM2BPHF8NCF1USP30CPB2
SCHEMBL19867699 0.79 KDM2B (0.40) KDM2BPHF8NCF1USP30CPB2
SCHEMBL21047352 0.79 KDM2B (0.40) KDM2BPHF8NCF1USP30CPB2
SCHEMBL21047354 0.79 KDM2B (0.40) KDM2BPHF8NCF1USP30CPB2
SCHEMBL19867707 0.79 KDM2B (0.40) KDM2BPHF8NCF1USP30CPB2
SCHEMBL24501908 0.73 TP53 (0.33) KDM4CCPB2CPB1
SCHEMBL24496393 0.73 TP53 (0.33) KDM4CCPB2CPB1
SCHEMBL24496052 0.73 TP53 (0.33) KDM4CCPB2CPB1
SCHEMBL19859531 0.73 KDM2B (0.47) KDM2BCHRM3KDM4CUSP30CPB2

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A KDM2B 505/4885PHF8 653/4885CHRM3 4783/4885

“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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