SCHEMBL31692148

SCHEMBL31692148

CC(C)(C)OC(=O)N1CC=C(c2ccc3[nH]c4ncccc4c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 4/20 0.51
▸ CCNT1 O60563 1/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ TBK1 Q9UHD2 1/20 0.48
▸ GRM5 P41594 6/20 0.48
▸ GRM1 Q13255 5/20 0.48
▸ SOS1 Q07889 1/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK13 Q14004 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ JAK1 P23458 1/20 0.45

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
SCHEMBL30178579 0.83 CNR1 (0.51) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL31017627 0.82 CNR1 (0.48) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL25036987 0.82 CNR1 (0.54) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL30484043 0.82 CNR1 (0.48) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL30273978 0.82 CNR1 (0.54) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL29760339 0.81 GRM1 (0.49) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL23165947 0.81 GRM1 (0.49) CDK9CCNT1NAMPTCNR1TBK1
SCHEMBL23580367 0.80 NAMPT (0.47) CDK9CCNT1NAMPTCNR1GRM5
SCHEMBL30178737 0.80 NAMPT (0.47) CDK9CCNT1NAMPTCNR1GRM5
SCHEMBL26312619 0.80 NAMPT (0.52) CDK9CCNT1NAMPTCNR1TBK1

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-20250302815-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC 2025-10-02 — — 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-20250302815-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS PTPN1, PTPN2, PTPN18 CDK9 1717/4885CCNT1 3967/4885NAMPT 793/4885

“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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