SCHEMBL4368747

SCHEMBL4368747

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
GAA P10253 1/20 0.45
ADORA1 P30542 4/20 0.44
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NR4A2 P43354 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDAH1 O94760 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL3209801 0.76 HTT (0.41) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL4367112 0.76 ADORA1 (0.41) ADORA1ADORA3ADORA2A
SCHEMBL8804333 0.73 ADORA1 (0.49) GAAADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL17525007 0.72 HTT (0.35) HTTCDK4CCND1SMN1; SMN2NR4A2
SCHEMBL4371769 0.72 GAA (0.41) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL3225015 0.71 ADORA1 (0.41) GAAADORA1ADORA2ASMN1; SMN2L3MBTL1
SCHEMBL14347063 0.70 ADORA1 (0.41) HTTGAAADORA1ADORA3ADORA2A
SCHEMBL4362864 0.70 ADORA1 (0.41) HTTGAAADORA1ADORA3ADORA2A
Hydrochloric Acid SCHEMBL8565198 0.69 ADORA1 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016022644-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
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-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

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-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.