SCHEMBL3209958

SCHEMBL3209958

CCc1nc2c(C)cc(CC3CCCC3)nc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.33
CDK2 P24941 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
ADORA2A P29274 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
NPY5R Q15761 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HTR6 P50406 2/20 0.32
PDE9A O76083 4/20 0.31
ADORA2B P29275 2/20 0.31
CDC7 O00311 1/20 0.31
CCNE1 P24864 1/20 0.31
ROCK1 Q13464 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
SCHEMBL3224002 0.99 CDK1 (0.34) ADORA1CDK2CDK1CCNB1CCNA2
SCHEMBL3224434 0.97 JAK2 (0.34) ADORA1CDK2CDK1CCNB1CCNA2
SCHEMBL3206456 0.94 ADORA1 (0.35) ADORA1ADORA2AADORA3
SCHEMBL14134998 0.82 CA1 (0.34)
SCHEMBL4362864 0.81 ADORA1 (0.41) ADORA1ADORA2AADORA3
SCHEMBL3206001 0.74 NOS3 (0.38) ADORA1ADORA2AADORA3
SCHEMBL3210413 0.73 ADORA1 (0.36) ADORA1ADORA2AADORA3
SCHEMBL1918476 0.73 ADORA1 (0.54) ADORA1ADORA2AADORA3
SCHEMBL14134995 0.72 CACNA1H (0.36) ADORA1ADORA2AADORA3NLRP3
SCHEMBL3218809 0.71 POLB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-2125806-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES Pfizer Products Inc. (US) 2009-12-02 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT ADORA1 1622/4885CDK2 644/4885CDK1 2587/4885

“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.