Sugi Predict

Sugi Predict / Compounds / SCHEMBL773555

SCHEMBL773555

SCHEMBL773555

COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC(C)CN1CCCC1)C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ CCR2 P41597 1/20 0.35
▸ ACHE P22303 4/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ IL17A Q16552 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ NTRK1 P04629 3/20 0.33
▸ ACVRL1 P37023 3/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL12135914 0.87 NTRK1 (0.35) PRKAG1PRKAA1PRKAB1CCR2ACHE
SCHEMBL773575 0.84 NTRK1 (0.44) PRKAG1PRKAA1PRKAB1CCR2ACHE
SCHEMBL441580 0.83 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1BRD4NTRK1
SCHEMBL450332 0.83 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1BRD4NTRK1
SCHEMBL450185 0.81 RHEB (0.37) PRKAG1PRKAA1PRKAB1NTRK1ACVRL1
SCHEMBL441643 0.81 RHEB (0.40) PRKAG1PRKAA1PRKAB1CARM1AURKA
SCHEMBL774043 0.81 NTRK1 (0.36) PRKAG1PRKAA1PRKAB1CARM1NTRK1
SCHEMBL773567 0.80 CARM1 (0.36) PRKAG1PRKAA1PRKAB1CCR2ACHE
SCHEMBL1350206 0.79 CARM1 (0.36) PRKAG1PRKAA1PRKAB1CCR2ACHE
SCHEMBL14733128 0.79 NTRK1 (0.46) PRKAG1PRKAA1PRKAB1CCR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 — — 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 PRKAG1 2220/4885PRKAA1 1654/4885PRKAB1 2329/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 PRKAG1 763/4885PRKAA1 625/4885PRKAB1 688/4885

“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.