SCHEMBL975642

SCHEMBL975642

CCC(CC)n1cnc2nc3ccccc3nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.39
KDM4E B2RXH2 10/20 0.39
GAA P10253 7/20 0.39
HSD17B10 Q99714 5/20 0.39
TSHR P16473 4/20 0.39
HPGD P15428 6/20 0.39
GLA P06280 4/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
MAPT P10636 7/20 0.37
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 3/20 0.36
NPC1 O15118 1/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 4/20 0.36
HRH3 Q9Y5N1 1/20 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
SCHEMBL7034909 0.75 KDM4E (0.42) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL7092051 0.72 GRM5 (0.40) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL977656 0.71 ADORA2A (0.32)
SCHEMBL978893 0.70 KDM4E (0.47) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL7111137 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL2288043 0.67 MEN1 (0.33) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL7033144 0.66 HTT (0.52) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7094273 0.66 KDM4E (0.52) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL7034501 0.65 HPGD (0.55) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL11414055 0.65 MEN1 (0.51) HSD17B10TSHRHPGDNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYTOKINETICS, INCORPORATED (US) 2020-09-08 US disclosed
US-20140303366-A1 Certain 1H-Imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-Imidazo[4,5-b]pyrazin-2-ols and Methods for Their Use CYTOKINETICS, INCORPORATED 2014-10-09 US disclosed
US-8716291-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INC. (US) 2014-05-06 US disclosed
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2013-02-28 US disclosed
US-8299248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INCORPORATED (US) 2012-10-30 US 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 ALDH1A1 4078/4885KDM4E 4534/4885GAA 1068/4885
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, TNNC1 ALDH1A1 2480/4885KDM4E 3314/4885GAA 391/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885KDM4E 4534/4885GAA 1068/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 ALDH1A1 1112/4885KDM4E 2326/4885GAA 2949/4885
US-20140303366-A1 Certain 1H-Imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-Imidazo[4,5-b]pyrazin-2-ols and Methods for Their Use TNNI3, TNNT2, TNNC1 ALDH1A1 1652/4885KDM4E 2915/4885GAA 716/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ALDH1A1 4078/4885KDM4E 4534/4885GAA 1068/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 ALDH1A1 2480/4885KDM4E 3314/4885GAA 391/4885

“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.