SCHEMBL2228112

SCHEMBL2228112

CSc1nccc(Nc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
CHEK1 O14757 1/20 0.59
IKBKB O14920 1/20 0.59
PDPK1 O15530 1/20 0.59
CHEK2 O96017 1/20 0.59
PRKCG P05129 1/20 0.59
CDK1 P06493 1/20 0.59
LYN P07948 1/20 0.59
KIT P10721 1/20 0.59
PIM1 P11309 1/20 0.59
FGFR1 P11362 1/20 0.59
FGFR3 P22607 1/20 0.59
RPS6KB1 P23443 1/20 0.59
CDK2 P24941 1/20 0.59
MARK3 P27448 1/20 0.59
MAPK1 P28482 1/20 0.59
EPHA2 P29317 1/20 0.59

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
SCHEMBL13963139 0.83 ROCK1 (0.51) AURKARAB9AMAPTNPC1CHEK1
Hydrochloric Acid SCHEMBL4519675 0.82 ROCK1 (0.50) AURKARAB9AMAPTNPC1CHEK1
SCHEMBL26938058 0.80 MAPT (0.61) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7500955 0.78 KDR (0.42) AURKARAB9AMAPTNPC1CHEK1
SCHEMBL21676894 0.78 MEN1 (0.62) AURKARAB9AMAPTNPC1ROCK1
SCHEMBL5914036 0.76 MEN1 (0.51) RAB9AMAPTNPC1CDK2ROCK1
SCHEMBL5264043 0.76 DHODH (0.47) AURKARAB9AMAPTNPC1CHEK1
SCHEMBL5914406 0.76 MEN1 (0.41) RAB9AMAPTNPC1LYNMEN1
SCHEMBL27895804 0.74 MEN1 (0.50) RAB9AMAPTNPC1CDK2ROCK1
SCHEMBL440486 0.74 AURKA (1.00) AURKARAB9AMAPTNPC1CHEK1

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-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
EP-2521726-B1 5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASES INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SANOFI SA (FR) 2013-12-18 EP disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 AURKA 3688/4885RAB9A 3282/4885MAPT 3035/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 AURKA 3688/4885RAB9A 3282/4885MAPT 3035/4885

“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.