SCHEMBL4239038

SCHEMBL4239038

NC(=O)c1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.70
ABL1 P00519 4/20 0.68
BCR P11274 4/20 0.68
EGFR P00533 1/20 0.61
ERBB4 Q15303 1/20 0.61
THRB P10828 1/20 0.61
SYK P43405 2/20 0.56
KDM4E B2RXH2 3/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KIF11 P52732 1/20 0.52
ROCK1 Q13464 1/20 0.52
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4239378 0.86 ABL1 (0.69) AURKAABL1BCRKDM4EMAPT
SCHEMBL1387447 0.85 THRB (0.80) AURKAABL1BCREGFRERBB4
SCHEMBL4235267 0.84 AURKA (0.55) AURKAABL1BCREGFRERBB4
SCHEMBL4234986 0.84 AURKA (0.55) AURKAABL1BCREGFRERBB4
SCHEMBL3694508 0.82 AURKA (1.00) AURKASYK
SCHEMBL4237476 0.82 AURKA (1.00) AURKASYK
SCHEMBL242231 0.81 EGFR (0.52) AURKAABL1BCREGFRERBB4
SCHEMBL4239042 0.80 THRB (0.68) AURKAEGFRERBB4THRBKDM4E
SCHEMBL4237718 0.80 THRB (0.55) AURKAABL1BCREGFRERBB4
SCHEMBL6430910 0.79 MAPT (0.70) AURKAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US claimed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP claimed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO claimed
US-12018280-B2 Method for freezing aggregates of pluripotent stem cell-derived cardiomyocytes KYOTO UNIVERSITY (JP) 2024-06-25 US disclosed
EP-3431584-B1 METHODS FOR FREEZING AN AGGREGATE OF PLURIPOTENT STEM CELL-DERIVED CARDIOMYOCYTES UNIV KYOTO (JP) 2023-06-28 EP disclosed
WO-2023286772-A1 CARDIOMYOCYTE PRODUCTION METHOD 三菱ケミカル株式会社 2023-01-19 WO disclosed
US-20200325448-A1 METHOD FOR FREEZING AGGREGATES OF PLURIPOTENT STEM CELL-DERIVED CARDIOMYOCYTES KYOTO UNIVERSITY (JP) 2020-10-15 US disclosed
EP-3150705-B1 METHOD FOR INDUCING MYOCARDIAL DIFFERENTIATION OF PLURIPOTENT STEM CELLS USING LOW-MOLECULAR COMPOUND UNIV KYOTO (JP) 2019-05-15 EP disclosed
EP-2966166-B1 PROMOTER OF DIFFERENTIATION OF PLURIPOTENT STEM CELL INTO MYOCARDIUM, WHICH COMPRISES EGF RECEPTOR INHIBITOR UNIV KYOTO (JP) 2019-04-03 EP disclosed
US-10233426-B2 Method for inducing cardiac differentiation of pluripotent stem cell with low-molecular compounds KYOTO UNIVERSITY (JP) 2019-03-19 US disclosed
US-10196609-B2 Composition for promoting cardiac differentiation of pluripotent stem cell comprising EGFR inhibitor KYOTO UNIVERSITY (JP) 2019-02-05 US disclosed
EP-3431584-A1 FREEZING METHOD FOR AGGREGATES OF PLURIPOTENT STEM CELL-DERIVED MYOCARDIAL CELLS Kyoto University (JP) 2019-01-23 EP disclosed
US-20170152485-A1 Method for Inducing Cardiac Differentiation of Pluripotent Stem Cell with Low-Molecular Compounds KYOTO UNIVERSITY (JP) 2017-06-01 US disclosed
EP-3150705-A1 METHOD FOR INDUCING MYOCARDIAL DIFFERENTIATION OF PLURIPOTENT STEM CELLS USING LOW-MOLECULAR COMPOUND Kyoto University (JP) 2017-04-05 EP disclosed
EP-2966166-A1 PROMOTER OF DIFFERENTIATION OF PLURIPOTENT STEM CELL INTO MYOCARDIUM, WHICH COMPRISES EGF RECEPTOR INHIBITOR Kyoto University (JP) 2016-01-13 EP disclosed
US-20160002600-A1 COMPOSITION FOR PROMOTING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL COMPRISING EGFR INHIBITOR KYOTO UNIVERSITY (JP) 2016-01-07 US disclosed
CN-103242241-A Salt of cyclopropane-carboxylic acid amide derivative SHANGHAI YIZHI MEDICAL TECH CO 2013-08-14 CN disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP disclosed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 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 (4 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-10233426-B2 Method for inducing cardiac differentiation of pluripotent stem cell with low-molecular compounds SRC, MYLK2, YES1 AURKA 776/4885ABL1 108/4885BCR 799/4885
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 AURKA 43/4885ABL1 75/4885BCR 313/4885
US-20200325448-A1 METHOD FOR FREEZING AGGREGATES OF PLURIPOTENT STEM CELL-DERIVED CARDIOMYOCYTES TNNI3, MYLK2, TNNT2 AURKA 916/4885ABL1 3347/4885BCR 3594/4885
US-12018280-B2 Method for freezing aggregates of pluripotent stem cell-derived cardiomyocytes TNNI3, MYLK2, TNNT2 AURKA 916/4885ABL1 3347/4885BCR 3594/4885

“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.