SCHEMBL18010984

SCHEMBL18010984

C[CH]c1nnc(C(F)(F)F)o1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
HDAC6 Q9UBN7 2/20 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
SCHEMBL14562598 0.77 EPHX2 (0.35) EPHX2HDAC6
SCHEMBL1829308 0.74 EPHX2 (0.45) EPHX2HDAC6
SCHEMBL10202700 0.69 EPHX2 (0.38) EPHX2HDAC6
SCHEMBL18760057 0.67 HDAC6 (0.47) EPHX2HDAC6
SCHEMBL9963212 0.64 ALDH1A1 (0.36) EPHX2HDAC6
SCHEMBL21973442 0.64 NOTUM (0.41) EPHX2HDAC6
SCHEMBL31214294 0.64 KDM4E (0.44) EPHX2HDAC6
SCHEMBL3724843 0.64 EPHX2 (0.38) EPHX2HDAC6
SCHEMBL12976224 0.64 EPHX2 (0.38) EPHX2HDAC6
SCHEMBL2879549 0.64 EPHX2 (0.38) EPHX2HDAC6

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-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
EP-3150599-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-10-24 EP disclosed
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9889136-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-02-13 US disclosed
US-9662333-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-05-30 US disclosed
EP-3150599-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2017-04-05 EP disclosed
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 US disclosed
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-25 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 (4 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-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR EPHX2 3227/4885HDAC6 240/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD EPHX2 2884/4885HDAC6 389/4885
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR EPHX2 3227/4885HDAC6 240/4885
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, NR5A2 EPHX2 3739/4885HDAC6 883/4885

“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.