SCHEMBL772969

SCHEMBL772969

Cc1c(C)c(C)c(OC[C@H](O)CNc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)CN(C2CCN(C)CC2)C4=O)c(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.60
ACVRL1 P37023 7/20 0.60
RET P07949 4/20 0.60
ROS1 P08922 4/20 0.60
NTRK3 Q16288 2/20 0.60
NTRK2 Q16620 2/20 0.60
IGF1R P08069 12/20 0.44
CYP3A4 P08684 12/20 0.44
MET P08581 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AURKA O14965 1/20 0.38
PTK2 Q05397 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL794023 0.93 NTRK1 (0.62) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL772585 0.92 NTRK1 (0.52) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL794044 0.92 NTRK1 (0.61) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL794928 0.90 NTRK1 (0.61) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL768035 0.90 NTRK1 (0.58) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL768036 0.90 NTRK1 (0.58) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL768795 0.90 NTRK1 (0.56) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL768796 0.90 NTRK1 (0.56) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL767914 0.90 NTRK1 (0.57) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL767913 0.90 NTRK1 (0.57) 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 5 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-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-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-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 (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-20120071473-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-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-20080171769-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

“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.