Sugi Predict

Sugi Predict / Compounds / SCHEMBL439871

SCHEMBL439871

SCHEMBL439871

COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(c1ccc(F)nc1)C3=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.39
▸ ACVRL1 P37023 2/20 0.39
▸ CCR9 P51686 1/20 0.35
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RHEB Q15382 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL441593 0.86 NTRK1 (0.48) NTRK1ACVRL1CCR9KMT2APOLB
SCHEMBL10181694 0.86 NTRK1 (0.39) NTRK1ACVRL1CCR9PRKAG1PRKAA1
SCHEMBL441643 0.86 RHEB (0.40) PRKAG1PRKAA1PRKAB1KMT2AMEN1
SCHEMBL438660 0.83 NTRK1 (0.49) NTRK1ACVRL1CCR9KMT2APOLB
SCHEMBL450185 0.80 RHEB (0.37) NTRK1ACVRL1PRKAG1PRKAA1PRKAB1
SCHEMBL441275 0.79 RHEB (0.40) PRKAG1PRKAA1PRKAB1KMT2AMEN1
SCHEMBL774043 0.78 NTRK1 (0.36) NTRK1ACVRL1PRKAG1PRKAA1PRKAB1
SCHEMBL14733128 0.76 NTRK1 (0.46) NTRK1ACVRL1PRKAG1PRKAA1PRKAB1
SCHEMBL10181253 0.76 NTRK1 (0.49) NTRK1ACVRL1PRKAG1PRKAA1KMT2A
SCHEMBL441580 0.75 PRKAG1 (0.36) NTRK1ACVRL1PRKAG1PRKAA1PRKAB1

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 8 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-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-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-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 — — WO 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 NTRK1 65/4885ACVRL1 592/4885CCR9 4261/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885CCR9 4261/4885

“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.