SCHEMBL31681826

SCHEMBL31681826

c1cc2cc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)ccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ SYK P43405 2/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ NR2C2 P49116 1/20 0.42
▸ TAB1 Q15750 1/20 0.42
▸ SMG1 Q96Q15 5/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ MTOR P42345 1/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CDK2 P24941 2/20 0.40

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
SCHEMBL2376050 1.00 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2374148 0.82 JAK2 (0.56) SYKJAK2JAK1JAK3SMG1
SCHEMBL2376107 0.82 SMG1 (0.56) JAK2JAK1JAK3SMG1FLT3
SCHEMBL31681845 0.80 SMG1 (0.51) SYKNR2C2TAB1SMG1MTOR
SCHEMBL2375211 0.80 SMG1 (0.51) SYKNR2C2TAB1SMG1MTOR
SCHEMBL2375403 0.80 PLK4 (0.55) JAK2JAK1JAK3NR2C2TAB1
SCHEMBL2375410 0.77 ZAP70 (0.61) IGF1R
SCHEMBL12231947 0.75 ZAP70 (0.49) SYKJAK2JAK1JAK3SMG1
SCHEMBL30839088 0.75 JAK2 (0.64) SYKJAK2JAK1JAK3FLT3
SCHEMBL20726570 0.73 HRH4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2

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-12410397-B2 Methods of enhancing cell survival of stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2025-09-09 — — 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-12410397-B2 Methods of enhancing cell survival of stem cells MCL1, BCL2, BCLAF1 CYP3A4 4875/4885CYP2D6 4834/4885CYP2C9 4885/4885

“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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