SCHEMBL3209801

SCHEMBL3209801

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
DDAH1 O94760 1/20 0.33
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
TP53 P04637 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK4 P11802 1/20 0.30

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
SCHEMBL1918476 0.82 ADORA1 (0.54) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL4362864 0.81 ADORA1 (0.41) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL3199658 0.79 ADORA1 (0.40) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL6494388 0.78 HTT (0.43) HTTADORA3SMN1; SMN2KDM4ECYP3A4
SCHEMBL31218454 0.78 HTT (0.43) HTTADORA3SMN1; SMN2KDM4ECYP3A4
SCHEMBL4368747 0.76 HTT (0.45) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL3211435 0.76 ADORA1 (0.37) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL3206001 0.74 NOS3 (0.38) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL3218809 0.74 POLB (0.41) GAASMN1; SMN2DDAH1L3MBTL1TP53
SCHEMBL3210413 0.73 ADORA1 (0.36) HTTGAAADORA1ADORA3ADORA2A

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
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
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
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 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 (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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT HTT 3537/4885GAA 482/4885ADORA1 1622/4885
US-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA HTT 2265/4885GAA 3391/4885ADORA1 890/4885

“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.