SCHEMBL17298876

SCHEMBL17298876

Cc1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ AR P10275 1/20 0.45
▸ NAMPT P43490 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18030367 0.82 KDM4E (0.48) KDM4EHDAC1HDAC6NAMPTALDH1A1
SCHEMBL23547606 0.76 NPSR1 (0.44) KDM4EALDH1A1NPC1LMNARAB9A
SCHEMBL5423407 0.73 KDM4E (0.60) KDM4EHDAC1HDAC6ALDH1A1CYP19A1
SCHEMBL24754681 0.72 PTGES (0.47) —
SCHEMBL2711073 0.70 LMNA (0.41) KDM4EALDH1A1LMNAKMT2A
SCHEMBL12444444 0.70 L3MBTL1 (0.58) KDM4EHDAC1HDAC6ALDH1A1LMNA
SCHEMBL12993708 0.69 EPHX2 (0.54) KDM4EHDAC1NAMPTALDH1A1LMNA
SCHEMBL5431621 0.69 KDM4E (0.67) KDM4EHDAC1HDAC6ALDH1A1CYP19A1
SCHEMBL25044558 0.69 L3MBTL1 (0.69) KDM4EHDAC1HDAC6ALDH1A1LMNA
SCHEMBL12326825 0.69 NAMPT (0.59) KDM4EHDAC1HDAC6NAMPTALDH1A1

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 12 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
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 — — US 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-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
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-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
WO-2015182712-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2015-12-03 — — WO 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 KDM4E 1995/4885HDAC1 69/4885HDAC6 240/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD KDM4E 2393/4885HDAC1 126/4885HDAC6 389/4885
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR KDM4E 1995/4885HDAC1 69/4885HDAC6 240/4885
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, NR5A2 KDM4E 1358/4885HDAC1 177/4885HDAC6 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.

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