SCHEMBL977455

SCHEMBL977455

O=c1[nH]c2ncc(Br)nc2n1C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.61
MAP3K11 Q16584 4/20 0.59
ADORA3 P0DMS8 3/20 0.47
ADORA2B P29275 2/20 0.47
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
JAK3 P52333 3/20 0.46
ALDH1A1 P00352 3/20 0.43
RGS12 O14924 2/20 0.43
USP2 O75604 2/20 0.43
RAB9A P51151 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
HCAR1 Q9BXC0 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL976654 0.93 MAP3K11 (0.53) MTORMAP3K11ADORA3ADORA2BJAK2
SCHEMBL481717 0.86 MAP3K11 (0.51) MTORMAP3K11ADORA3ADORA2BJAK2
SCHEMBL977646 0.86 MTOR (0.63) MTORMAP3K11JAK2JAK1JAK3
SCHEMBL481716 0.86 MAP3K11 (0.51) MTORMAP3K11ADORA3ADORA2BJAK2
SCHEMBL482193 0.83 MAP3K11 (0.49) MTORMAP3K11JAK2JAK1JAK3
SCHEMBL482194 0.83 MAP3K11 (0.49) MTORMAP3K11JAK2JAK1JAK3
SCHEMBL481861 0.82 MTOR (0.67) MTORMAP3K11ADORA3ADORA2BJAK2
SCHEMBL481860 0.82 MTOR (0.67) MTORMAP3K11ADORA3ADORA2BJAK2
SCHEMBL976454 0.80 MTOR (0.58) MTORMAP3K11ADORA3ADORA2BJAK2
SCHEMBL977378 0.78 MTOR (0.56) MTORMAP3K11ADORA3ADORA2BJAK2

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 36 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-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 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
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 claimed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 US 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
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 MTOR 607/4885MAP3K11 1398/4885ADORA3 3295/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 MTOR 4448/4885MAP3K11 3679/4885ADORA3 3404/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 MTOR 607/4885MAP3K11 1398/4885ADORA3 3295/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 MTOR 3297/4885MAP3K11 1239/4885ADORA3 3142/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 MTOR 3118/4885MAP3K11 2088/4885ADORA3 3075/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 MTOR 607/4885MAP3K11 1398/4885ADORA3 3295/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 MTOR 2781/4885MAP3K11 1263/4885ADORA3 2376/4885

“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.