SCHEMBL978383

SCHEMBL978383

CCC(CC)n1c(=O)[nH]c2nc3ccccc3nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.53
▸ PDE2A O00408 2/20 0.42
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ KDM4E B2RXH2 8/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ CASP7 P55210 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ POLB P06746 2/20 0.35

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
SCHEMBL977125 0.78 FYN (0.49) PDE2APDE3BPDE3AKDM4EALDH1A1
SCHEMBL977128 0.78 FYN (0.49) PDE2APDE3BPDE3AKDM4EALDH1A1
SCHEMBL978051 0.72 CYP1A2 (0.66) CYP1A2MTOR
SCHEMBL978074 0.72 CYP1A2 (0.70) CYP1A2ADORA2APABPC1MTORMEN1
SCHEMBL976625 0.72 CYP1A2 (0.66) CYP1A2ADORA2AMTOR
SCHEMBL977120 0.72 CYP1A2 (0.58) CYP1A2ALDH1A1ADORA2BADORA2AMTOR
SCHEMBL975769 0.71 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10MTORPOLB
SCHEMBL976793 0.70 CYP1A2 (0.53) CYP1A2KDM4EALDH1A1MTORHPGD
SCHEMBL978296 0.70 CYP1A2 (0.63) CYP1A2KDM4EALDH1A1MTORHPGD
SCHEMBL974753 0.70 CYP1A2 (0.63) CYP1A2ADORA2BADORA2AMTORADORA3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 — — EP claimed
EP-2666777-A1 Certain chemical entities having an imidazo<4,5-b>pyrazin-2(3H)-one core, compositions and methods Cytokinetics, Inc. (US) 2013-11-27 — — EP claimed
EP-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 — — EP claimed
EP-2069352-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2009-06-17 — — EP claimed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 — — US claimed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO claimed
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYTOKINETICS, INCORPORATED (US) 2020-09-08 — — US disclosed
EP-2995619-B1 CERTAIN CHEMICAL ENTITIES COMPRISING IMIDAZOPYRIMIDINES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2019-09-25 — — EP disclosed
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC. 2019-06-06 — — US disclosed
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS INC (US) 2017-09-21 — — US disclosed
EP-2069352-B9 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2017-03-15 — — EP disclosed
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 — — EP disclosed
EP-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 — — EP disclosed
US-8293761-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2012-10-23 — — US disclosed
US-7956056-B2 Certain 1H-imidazo[4,5-B]pyrazin-2(3H)-ones and 1H-imidazo[4,5-B]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2011-06-07 — — US disclosed
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 — — US disclosed
US-20100210645-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 — — US disclosed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 — — US disclosed
US-7598248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2009-10-06 — — US disclosed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 — — 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 (7 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-20100210645-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885PDE2A 1397/4885PDE3B 1701/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 CYP1A2 4687/4885PDE2A 123/4885PDE3B 169/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885PDE2A 1397/4885PDE3B 1701/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 CYP1A2 20/4885PDE2A 1423/4885PDE3B 699/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 CYP1A2 4298/4885PDE2A 563/4885PDE3B 590/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885PDE2A 1397/4885PDE3B 1701/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 CYP1A2 3227/4885PDE2A 162/4885PDE3B 177/4885

“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.

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