SCHEMBL12851970

SCHEMBL12851970

CC(C)(C)c1cnc(NC(=O)C2CC2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CNR2 P34972 1/20 0.54
▸ CDK2 P24941 8/20 0.51
▸ CCNE2 O96020 6/20 0.51
▸ CCNE1 P24864 6/20 0.51
▸ LCK P06239 2/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ CDK9 P50750 4/20 0.48
▸ MKNK1 Q9BUB5 2/20 0.48
▸ CDK7 P50613 2/20 0.48
▸ CIT O14578 1/20 0.48
▸ CASK O14936 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ DCLK1 O15075 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ ULK1 O75385 1/20 0.48
▸ RPS6KA5 O75582 1/20 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
SCHEMBL22494766 0.85 RAB9A (0.47) RAB9ASMN1; SMN2CNR2CDK2CCNE2
SCHEMBL22494694 0.82 CNR2 (0.45) RAB9ASMN1; SMN2CNR2CDK2CCNE2
SCHEMBL22494688 0.82 CNR2 (0.45) RAB9ASMN1; SMN2CNR2CDK2CCNE2
SCHEMBL22494687 0.82 CNR2 (0.45) RAB9ASMN1; SMN2CNR2CDK2CCNE2
SCHEMBL179490 0.80 CCNE1 (0.52) CNR2CDK2CCNE2CCNE1CCNB2
SCHEMBL17632088 0.80 UCHL1 (0.64) RAB9ACNR2CDK2CCNE2CCNE1
SCHEMBL20270816 0.76 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2CDK2CCNE1LCK
SCHEMBL20877512 0.75 CA1 (0.47) CNR2CDK2CCNE2CCNE1LCK
SCHEMBL13436517 0.75 CDK2 (0.65) RAB9ASMN1; SMN2CDK2CCNE1LCK
SCHEMBL19261385 0.75 CCND3 (0.43) RAB9ASMN1; SMN2CNR2CDK2CCNE2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 — — US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — 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 (3 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 RAB9A 2402/4885SMN1; SMN2 1940/4885CNR2 279/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 RAB9A 1189/4885SMN1; SMN2 2425/4885CNR2 238/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 RAB9A 1189/4885SMN1; SMN2 2425/4885CNR2 238/4885

“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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