SCHEMBL793990

SCHEMBL793990

COc1nccc(I)c1-c1nc2c(Cl)c3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
ACVRL1 P37023 4/20 0.41
CARM1 Q86X55 2/20 0.34
RHEB Q15382 1/20 0.33
RET P07949 1/20 0.33
ROS1 P08922 1/20 0.33
CDC7 O00311 1/20 0.32
FASN P49327 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
BRD4 O60885 2/20 0.31
PDE5A O76074 2/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CREBBP Q92793 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CYP3A4 P08684 2/20 0.31
IGF1R P08069 1/20 0.31
DCLK1 O15075 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL768194 0.91 NTRK1 (0.50) NTRK1ACVRL1CARM1RETROS1
SCHEMBL773810 0.85 NTRK1 (0.47) NTRK1ACVRL1CARM1RETROS1
SCHEMBL441176 0.85 NTRK1 (0.49) NTRK1ACVRL1CARM1RETROS1
SCHEMBL768094 0.81 NTRK1 (0.55) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL793592 0.78 NTRK1 (0.55) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL12136149 0.76 NTRK1 (0.46) NTRK1ACVRL1CARM1RETROS1
SCHEMBL12135396 0.76 ALDH1A1 (0.39) NTRK1ACVRL1CARM1CYP3A4
SCHEMBL12135970 0.75 NTRK1 (0.38) NTRK1ACVRL1CARM1FASN
Hydrochloric Acid SCHEMBL768247 0.73 NTRK1 (0.62) NTRK1ACVRL1RETROS1CYP3A4
SCHEMBL439782 0.73 NTRK1 (0.64) NTRK1ACVRL1RETROS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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 (5 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NTRK1 718/4885ACVRL1 3502/4885CARM1 988/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NTRK1 718/4885ACVRL1 3502/4885CARM1 988/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP NTRK1 718/4885ACVRL1 3502/4885CARM1 988/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 NTRK1 331/4885ACVRL1 1949/4885CARM1 1209/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 NTRK1 331/4885ACVRL1 1949/4885CARM1 1209/4885

“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.