Sugi Predict

Sugi Predict / Compounds / SCHEMBL964913

SCHEMBL964913

SCHEMBL964913

Cc1nn(C)c(-n2ccc3ccc(C(F)(F)F)cc32)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MCL1 Q07820 1/20 0.36
▸ HTR7 P34969 1/20 0.35
▸ TDP2 O95551 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ PDE10A Q9Y233 3/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL963139 0.86 CDC7 (0.42) CDC7CDK2MCL1HTR7TDP2
SCHEMBL963134 0.86 CDC7 (0.42) CDC7CDK2MCL1HTR7TDP2
SCHEMBL964456 0.85 ALDH1A1 (0.43) CDC7CDK2MCL1CYP1A2CYP2C9
SCHEMBL964457 0.85 ALDH1A1 (0.43) CDC7CDK2MCL1CYP1A2CYP2C9
SCHEMBL966593 0.84 CDC7 (0.40) CDC7CDK2HTR7CYP1A2CYP2C9
SCHEMBL965606 0.82 SMN1; SMN2 (0.45) CDC7CDK2HTR7CYP1A2CYP2C9
SCHEMBL965187 0.81 HTR2A (0.35) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP2A6
SCHEMBL967700 0.80 ROCK1 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL961987 0.80 POLB (0.34) MCL1TDP2PDE10APDE2ACYP1A2
SCHEMBL965856 0.79 HTT (0.40) CDC7CDK2CYP1A2CYP2C9CYP2C19

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 — — US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 — — CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 — — EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 — — WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 — — 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CDC7 2245/4885CDK2 2555/4885MCL1 3194/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDC7 4163/4885CDK2 2985/4885MCL1 3693/4885

“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.