SCHEMBL450332

SCHEMBL450332

COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC(O)CO)C3=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
CBFB Q13951 2/20 0.35
RHEB Q15382 3/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NTRK1 P04629 2/20 0.33
ACVRL1 P37023 2/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
ROS1 P08922 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
DGAT1 O75907 1/20 0.33
AMY1A P0DUB6 3/20 0.32
BRD4 O60885 1/20 0.32
F2 P00734 1/20 0.31

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
SCHEMBL441580 1.00 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1KMT2ARAB9A
SCHEMBL441643 0.84 RHEB (0.40) PRKAG1PRKAA1PRKAB1KMT2ARAB9A
SCHEMBL774043 0.83 NTRK1 (0.36) PRKAG1PRKAA1PRKAB1KMT2ARAB9A
SCHEMBL773555 0.83 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1KMT2ARAB9A
SCHEMBL441258 0.82 NTRK1 (0.43) RAB9ARHEBNPC1NTRK1ACVRL1
SCHEMBL452940 0.82 NTRK1 (0.43) RAB9ARHEBNPC1NTRK1ACVRL1
SCHEMBL450185 0.82 RHEB (0.37) PRKAG1PRKAA1PRKAB1KMT2ARAB9A
SCHEMBL14733128 0.82 NTRK1 (0.46) PRKAG1PRKAA1PRKAB1KMT2ARAB9A
SCHEMBL1350206 0.79 CARM1 (0.36) PRKAG1PRKAA1PRKAB1RHEBNTRK1
SCHEMBL441275 0.79 RHEB (0.40) PRKAG1PRKAA1PRKAB1KMT2ARAB9A

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-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 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

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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 PRKAG1 250/4885PRKAA1 49/4885PRKAB1 315/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 PRKAG1 250/4885PRKAA1 49/4885PRKAB1 315/4885

“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.