SCHEMBL18030366

SCHEMBL18030366

Cc1cc(C(=O)NCC(F)(F)F)ccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
GABRA5 P31644 3/20 0.50
ULK1 O75385 3/20 0.47
MAPK14 Q16539 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.42
LYN P07948 1/20 0.42
FLT3 P36888 1/20 0.42
SYK P43405 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL21212121 0.85 LMNA (0.46) MAPK14LMNAHTTSMN1; SMN2PSEN1
SCHEMBL30469331 0.82 LOXL2 (0.51) LOXL2GABRA5ULK1MAPK14LMNA
SCHEMBL12061585 0.81 KDM5A (0.47) LMNAHTTSMN1; SMN2PSEN1PSEN2
SCHEMBL31087405 0.81 KDM1A (0.42) LOXL2GABRA5ULK1MAPK14LMNA
SCHEMBL10357586 0.78 HPGD (0.51) HTTPSEN1PSEN2APH1BNCSTN
SCHEMBL1543956 0.77 KDM4E (0.55) LMNASMN1; SMN2
SCHEMBL30637340 0.77 KDM4E (0.55) LMNASMN1; SMN2
SCHEMBL27913539 0.77 EPHX2 (0.51) LMNAHTTSMN1; SMN2EPHX2
SCHEMBL5423407 0.77 KDM4E (0.60) GABRA5
SCHEMBL17689076 0.77 EGLN1 (0.44) LMNAHTTSMN1; SMN2JAK2PSEN1

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 7 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-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 LOXL2 3996/4885GABRA5 3925/4885ULK1 3167/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD LOXL2 4488/4885GABRA5 3567/4885ULK1 3271/4885
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR LOXL2 3996/4885GABRA5 3925/4885ULK1 3167/4885
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, NR5A2 LOXL2 4052/4885GABRA5 887/4885ULK1 3916/4885

“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.