SCHEMBL17360441

SCHEMBL17360441

Nc1ncccc1-c1ccc(Oc2ncc(NC(=O)Nc3cccc(C(F)(F)F)c3)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.62
RIPK1 Q13546 1/20 0.60
CDK8 P49336 2/20 0.57
CDK7 P50613 1/20 0.57
CDK6 Q00534 1/20 0.57
KDR P35968 2/20 0.54
PDGFRB P09619 1/20 0.54
BRAF P15056 1/20 0.54
MAPK14 Q16539 1/20 0.54
TNNI3K Q59H18 1/20 0.54

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
SCHEMBL17360239 0.90 NTRK1 (0.70) NTRK1CDK8CDK7CDK6KDR
SCHEMBL17360359 0.88 NTRK1 (0.60) NTRK1CDK8CDK7CDK6KDR
SCHEMBL17360292 0.88 NTRK1 (0.77) NTRK1CDK8CDK7CDK6KDR
SCHEMBL17360114 0.87 NTRK1 (0.78) NTRK1KDRPDGFRB
SCHEMBL15989451 0.87 NTRK1 (0.63) NTRK1KDRPDGFRB
SCHEMBL15989429 0.85 NTRK1 (0.84) NTRK1
SCHEMBL15989452 0.85 NTRK1 (0.61) NTRK1CDK8CDK7CDK6KDR
SCHEMBL15989459 0.84 NTRK1 (0.62) NTRK1CDK8CDK7CDK6KDR
SCHEMBL17360334 0.82 NTRK1 (0.82) NTRK1
SCHEMBL17360096 0.81 NTRK1 (0.75) NTRK1KDRBRAFMAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10765676-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2020-09-08 US disclosed
US-20190231777-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-01 US disclosed
US-10300060-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
US-20180256573-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-9993479-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2018-06-12 US disclosed
US-20170340634-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-30 US disclosed
US-9763943-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-19 US disclosed
US-20170027939-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2017-02-02 US disclosed
US-9498453-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9463192-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-11 US disclosed
US-20160280684-A1 TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-09-29 US disclosed
US-20160000783-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-01-07 US disclosed
EP-2960234-A1 Trk-INHIBITING COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2015-12-30 EP 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 (8 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-10300060-B2 Trk-inhibiting compound LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-20180256573-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-20160280684-A1 TRK-INHIBITING COMPOUND LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-20160000783-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-20190231777-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-20170340634-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-10765676-B2 Trk-inhibiting compound LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885
US-20170027939-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 NTRK1 33/4885RIPK1 825/4885CDK8 1285/4885

“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.