SCHEMBL26784606

SCHEMBL26784606

CC(C)c1cc(NC(=O)c2ccccc2)n[nH]1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 6/20 0.77
▸ PRKAG1 P54619 6/20 0.77
▸ PRKAA2 P54646 6/20 0.77
▸ PRKAA1 Q13131 6/20 0.77
▸ PRKAG3 Q9UGI9 6/20 0.77
▸ PRKAG2 Q9UGJ0 6/20 0.77
▸ PRKAB1 Q9Y478 6/20 0.77
▸ CCNA2 P20248 4/20 0.75
▸ CDK2 P24941 4/20 0.75
▸ CCNA1 P78396 4/20 0.75
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM5A P29375 2/20 0.48

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
SCHEMBL8141305 0.80 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL17283670 0.78 CCNA2 (0.69) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6562826 0.76 NPC1 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL26784594 0.73 HCAR3 (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4314346 0.72 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL6341557 0.71 CCNA2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6339700 0.71 CCNA2 (0.82) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL1663611 0.71 NPC1 (0.89) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16654040 0.71 NPC1 (0.60) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL21430743 0.70 FGFR1 (0.67) CCNA2CDK2CCNA1NPC1RAB9A

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-11814388-B1 Substituted pyrrolo[2,3-d]pyrimidines and pyrazolo[3,4-d]pyrimidines as inhibitors for multi-resistant cancers FERRIS STATE UNIVERSITY (US) 2023-11-14 — — 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-11814388-B1 Substituted pyrrolo[2,3-d]pyrimidines and pyrazolo[3,4-d]pyrimidines as inhibitors for multi-resistant cancers AURKA, AURKC, AURKB PRKAB2 1717/4885PRKAG1 1712/4885PRKAA2 1716/4885

“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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