Sugi Predict

Sugi Predict / Compounds / SCHEMBL1617211

SCHEMBL1617211

SCHEMBL1617211

CCS(=O)(=O)N1CCC(Nc2ncc(-c3cc(-c4ccccc4Cl)ncn3)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.57
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CCNT1 O60563 1/20 0.41
▸ LIMK1 P53667 3/20 0.41
▸ LIMK2 P53671 2/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL1616706 0.83 MAPK14 (0.65) MAPK14CCNT1LIMK1LIMK2
SCHEMBL1617259 0.81 MAPK14 (0.61) MAPK14LIMK1LIMK2CYP1A2CYP2C19
SCHEMBL1617504 0.75 MAPK14 (0.70) MAPK14LIMK1LIMK2
SCHEMBL4405299 0.74 MAPK14 (0.55) MAPK14
SCHEMBL4404426 0.73 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL1617454 0.71 MAPK14 (0.73) MAPK14LIMK1LIMK2
SCHEMBL4551619 0.71 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL1617396 0.70 MAPK14 (0.61) MAPK14LIMK1LIMK2
SCHEMBL13289293 0.70 GSK3B (0.46) MAPK14CNR1CNR2CCNT1HSD11B1
SCHEMBL13120938 0.70 GSK3B (0.61) CCNT1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923556-B2 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-12 — — US disclosed
US-7923556-B2 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-12 — — US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 — — US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 — — US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 — — US disclosed
EP-1848714-B1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 — — EP disclosed
EP-1848714-A2 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-10-31 — — EP disclosed
WO-2006084017-A2 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-10 — — WO disclosed
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 — — 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-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS LIMK1, LIMK2, MAPK1 MAPK14 83/4885CNR1 1110/4885CNR2 1947/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 MAPK14 83/4885CNR1 1110/4885CNR2 1947/4885

“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.