SCHEMBL469135

SCHEMBL469135

Cc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.60
ACVRL1 P37023 10/20 0.60
RET P07949 5/20 0.48
ROS1 P08922 5/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MET P08581 2/20 0.39
PDGFRB P09619 2/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
JAK1 P23458 2/20 0.39
NUAK1 O60285 1/20 0.39
JAK2 O60674 1/20 0.39
PDGFRA P16234 1/20 0.39
TYK2 P29597 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL438635 0.90 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
Hydrochloric Acid SCHEMBL767904 0.89 NTRK1 (0.60) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12135963 0.88 NTRK1 (0.67) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL793592 0.84 NTRK1 (0.55) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL773133 0.84 NTRK1 (0.55) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL768143 0.81 NTRK1 (0.54) NTRK1ACVRL1RETROS1NTRK3
Hydrochloric Acid SCHEMBL768584 0.81 NTRK1 (0.53) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL773523 0.81 NTRK1 (0.53) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12135231 0.81 NTRK1 (0.53) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12135400 0.80 NTRK1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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 (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-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-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885RET 11/4885

“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.