SCHEMBL438747

SCHEMBL438747

CN(C)C1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.41
NTRK1 P04629 9/20 0.41
ACVRL1 P37023 9/20 0.41
RET P07949 4/20 0.41
ROS1 P08922 4/20 0.41
MET P08581 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK1 P23458 4/20 0.36
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
PRKAA1 Q13131 2/20 0.36
NUAK1 O60285 1/20 0.36

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
SCHEMBL438772 0.81 NTRK1 (0.45) RHEBNTRK1ACVRL1RETROS1
SCHEMBL441639 0.81 RHEB (0.45) RHEBNTRK1ACVRL1RETROS1
SCHEMBL438749 0.81 RHEB (0.37) RHEBNPC1RAB9AMEN1KMT2A
SCHEMBL773256 0.79 NTRK1 (0.55) RHEBNTRK1ACVRL1RETROS1
SCHEMBL439680 0.78 NTRK1 (0.61) RHEBNTRK1ACVRL1RETROS1
SCHEMBL453373 0.78 NTRK1 (0.44) RHEBNTRK1ACVRL1RETROS1
SCHEMBL12136084 0.77 NTRK1 (0.44) RHEBNTRK1ACVRL1RETROS1
Hydrochloric Acid SCHEMBL3469036 0.77 NTRK1 (0.60) RHEBNTRK1ACVRL1RETROS1
SCHEMBL768457 0.77 NTRK1 (0.48) RHEBNTRK1ACVRL1RETROS1
SCHEMBL768308 0.77 NTRK1 (0.49) RHEBNTRK1ACVRL1RETROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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 (1 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-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 RHEB 1830/4885NTRK1 65/4885ACVRL1 592/4885

“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.