SCHEMBL20651750

SCHEMBL20651750

CC(C)N1Cc2ccc(F)nc2C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ CDK4 P11802 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK6 Q00534 1/20 0.30

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
SCHEMBL27251619 0.80 EGFR (0.32) —
SCHEMBL20651755 0.79 DRD2 (0.33) —
SCHEMBL20651756 0.78 SLC6A9 (0.42) —
SCHEMBL19504663 0.76 DRD2 (0.36) —
SCHEMBL19080440 0.71 CDK1 (0.32) CDK4
SCHEMBL19504487 0.70 HRH3 (0.40) —
SCHEMBL22221914 0.69 MEN1 (0.36) KCNH2TMEM97SIGMAR1
SCHEMBL19505171 0.69 TIPARP (0.47) KCNH2
SCHEMBL19163917 0.69 SMN1; SMN2 (0.35) —
SCHEMBL9963375 0.69 DPP8 (0.46) KCNH2DPP8DPP9

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-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 — — US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 — — 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-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 KCNH2 515/4885TMEM97 2833/4885SIGMAR1 3645/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 KCNH2 515/4885TMEM97 2833/4885SIGMAR1 3645/4885

“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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