Sugi Predict

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SCHEMBL6028846

SCHEMBL6028846

COc1ccc(-c2cnc(CCC(=O)NC(Cc3ccc(Cl)c(Cl)c3)C3CCCNC3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ CHEK1 O14757 2/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ RPLP1 P05386 2/20 0.37
▸ RPLP0 P05388 2/20 0.37
▸ RPS17 P08708 2/20 0.37
▸ RPSA P08865 2/20 0.37
▸ RPS2 P15880 2/20 0.37
▸ RPL35A P18077 2/20 0.37
▸ RPL7 P18124 2/20 0.37
▸ RPL17 P18621 2/20 0.37
▸ RPS4Y1 P22090 2/20 0.37
▸ RPS3 P23396 2/20 0.37
▸ RPS12 P25398 2/20 0.37
▸ RPL13 P26373 2/20 0.37
▸ RPL10 P27635 2/20 0.37
▸ RPL12 P30050 2/20 0.37
▸ RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 2/20 0.37

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
SCHEMBL7830301 0.95 AKT1 (0.44) AKT1GRIN1GRIN2BALDH1A1SSTR3
SCHEMBL6029616 0.91 CDK2 (0.37) AKT1CDK2PDPK1RPS6KB1
SCHEMBL6029125 0.89 MAPK1 (0.38) AKT1CDK2MAPK1MAPT
SCHEMBL6029151 0.88 CHEK1 (0.39) AKT1CDK2CHEK1GRIN1GRIN2B
SCHEMBL6029214 0.87 MCHR1 (0.45) CHEK1ALDH1A1MAPTRAB9A
SCHEMBL6028207 0.87 CHEK1 (0.39) AKT1CDK2CHEK1GRIN1GRIN2B
SCHEMBL7833614 0.86 AKT1 (0.38) AKT1CDK2JAK2JAK1JAK3
SCHEMBL6030283 0.85 GHSR (0.37) CHEK1GRIN1GRIN2BRPLP1RPLP0
SCHEMBL7829880 0.83 AKT1 (0.42) AKT1GRIN1GRIN2BALDH1A1SSTR3
Hydrochloric Acid SCHEMBL7833338 0.83 AKT1 (0.42) AKT1GRIN1GRIN2BALDH1A1SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 — — US claimed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 — — EP claimed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 — — US claimed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 — — WO claimed
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 — — US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 — — EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 — — US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 — — WO 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 AKT1 4282/4885CDK2 236/4885CHEK1 531/4885

“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.