SCHEMBL3458997

SCHEMBL3458997

O=C1c2cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc3cc2CN1CCN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.45
ACVRL1 P37023 7/20 0.45
RET P07949 4/20 0.45
ROS1 P08922 4/20 0.45
NTRK3 Q16288 2/20 0.45
NTRK2 Q16620 2/20 0.45
MET P08581 2/20 0.44
HTR4 Q13639 2/20 0.40
CCR2 P41597 1/20 0.40
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ACHE P22303 2/20 0.36
JAK1 P23458 1/20 0.35
RHEB Q15382 1/20 0.35
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL773434 0.95 HTR4 (0.47) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL13692321 0.91 NTRK1 (0.48) NTRK1ACVRL1RETROS1NTRK3
Hydrochloric Acid SCHEMBL3466822 0.90 NTRK1 (0.47) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12136073 0.88 NTRK1 (0.52) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL3459732 0.87 NTRK1 (0.46) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL14734018 0.87 NTRK1 (0.46) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL773873 0.86 NTRK1 (0.44) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL10283983 0.85 NTRK1 (0.46) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL16995320 0.85 NTRK1 (0.44) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL774038 0.82 NTRK1 (0.43) NTRK1ACVRL1RETROS1NTRK3

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 17 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-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
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
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 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 (3 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-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NTRK1 718/4885ACVRL1 3502/4885RET 16/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 NTRK1 331/4885ACVRL1 1949/4885RET 2/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 NTRK1 331/4885ACVRL1 1949/4885RET 2/4885

“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.