SCHEMBL2709353

SCHEMBL2709353

FC(F)(F)c1ccc2nc(C(F)(F)F)cc(Cl)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.68
CCNE2 O96020 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
DHODH Q02127 2/20 0.44
KDM4E B2RXH2 2/20 0.42
BACE1 P56817 1/20 0.42
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
IGF1R P08069 1/20 0.40
LMNA P02545 2/20 0.40
NPBWR1 P48145 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PHGDH O43175 1/20 0.38
EGFR P00533 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 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
SCHEMBL31327779 1.00 NT5E (0.68) NT5ECCNE2CCNA2CCNE1CDK2
SCHEMBL10508587 0.90 NT5E (0.55) NT5ECCNE2CCNA2CCNE1CDK2
SCHEMBL9493468 0.90 NT5E (0.64) NT5ECCNE2CCNA2CCNE1CDK2
SCHEMBL9493482 0.90 NT5E (0.55) NT5ECCNE2CCNA2CCNE1CDK2
SCHEMBL14690650 0.86 NT5E (0.50) NT5ECCNE2CCNA2CCNE1CDK2
SCHEMBL3826784 0.86 NT5E (0.54) NT5EKDM4EBACE1EPHX2SCN4A
SCHEMBL30492143 0.84 NT5E (0.70) NT5EDHODHKDM4EIGF1RLMNA
SCHEMBL2709700 0.84 NT5E (0.70) NT5EDHODHKDM4EIGF1RLMNA
SCHEMBL5101813 0.83 LMNA (0.62) NT5ECCNE2CCNA2CCNE1CDK2
SCHEMBL1536339 0.82 NT5E (0.70) NT5EDHODHKDM4EIGF1RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084063-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-03-13 US disclosed
WO-2025042736-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION (US) 2025-02-27 WO disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
EP-0111329-B1 FLUOROMETHYL QUINOLINE DERIVATIVES AND THEIR PREPARATION ALKALOIDA VEGYESZETI GYAR (HU) 1989-03-15 EP disclosed
US-4659834-A Process for the preparation of fluoromethyl-quinoline derivatives ALKALOIDA VEGYESZETI GYAR (HU) 1987-04-21 US disclosed
EP-0049776-B1 4-QUINOLINE METHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTANCES WITH A PHARMACOLOGICAL ACTIVITY BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed
EP-0111329-A1 Fluoromethyl quinoline derivatives and their preparation ALKALOIDA VEGYESZETI GYAR (HU) 1984-06-20 EP disclosed
EP-0049776-A2 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity BASF Aktiengesellschaft (DE) 1982-04-21 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 (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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885CCNE2 2286/4885CCNA2 3036/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885CCNE2 2286/4885CCNA2 3036/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 NT5E 1718/4885CCNE2 2822/4885CCNA2 2944/4885
US-20250084063-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 NT5E 2695/4885CCNE2 3265/4885CCNA2 2363/4885

“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.