SCHEMBL1124701

SCHEMBL1124701

N#Cc1ccc(N=C=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPA1 O75762 1/20 0.34
KIF11 P52732 1/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
ACLY P53396 1/20 0.34
EGLN2 Q96KS0 3/20 0.33
SLC22A12 Q96S37 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11554956 0.81 KIF11 (0.34) CYP3A4ALDH1A1HPGDTDP1KIF11
SCHEMBL12144769 0.81 KIF11 (0.36) ALDH1A1KIF11CYP11B2CYP11B1MEN1
SCHEMBL28566732 0.78 VCAM1 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL1967552 0.78 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL76596 0.76 ALDH1A1 (0.40) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29533142 0.76 ALDH1A1 (0.40) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL1966633 0.75 GABRA1 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL6212888 0.75 TRPV4 (0.44) KIF11CYP11B2CYP11B1MEN1KMT2A
SCHEMBL28560711 0.75 VCAM1 (0.32) KIF11MEN1KMT2AEGLN2
SCHEMBL9630076 0.75 CYP3A4 (0.55) CYP3A4ALDH1A1HPGDTDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955409-A Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-11-15 CN disclosed
CN-112867539-B Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-08-06 CN disclosed
CN-111153846-B Pyrrole compound, preparation method thereof, pharmaceutical composition and application CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-08-31 CN disclosed
CN-111153846-A Pyrrole compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2020-05-15 CN disclosed
EP-2364185-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-05-22 EP disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
EP-2364185-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-09-14 EP disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
WO-2010062507-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-03 WO disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO CYP3A4 4714/4885ALDH1A1 2679/4885HPGD 3170/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 CYP3A4 531/4885ALDH1A1 1202/4885HPGD 545/4885

“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.