SCHEMBL3725649

SCHEMBL3725649

COC(=O)c1ccncc1Nc1ccc(-c2ccccc2Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.50
▸ NUDT1 P36639 1/20 0.44
▸ KDM6B O15054 2/20 0.43
▸ KDM4C Q9H3R0 2/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ABCB1 P08183 6/20 0.41
▸ ABCC1 P33527 2/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ IARS2 Q9NSE4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL3723102 0.80 DHODH (0.66) DHODHABCB1ABCC1
SCHEMBL3732479 0.79 KDM4E (0.50) DHODHKDM4EALDH1A1GLAGAA
SCHEMBL3726714 0.78 GAA (0.48) DHODHNUDT1TGFBR1MAP2K2MAP2K1
SCHEMBL29781369 0.78 MAP2K1 (0.60) DHODHNUDT1MAP2K2MAP2K1PRKCZ
SCHEMBL3885464 0.78 MAP2K1 (0.60) DHODHNUDT1MAP2K2MAP2K1PRKCZ
SCHEMBL3736385 0.78 DHODH (0.80) DHODHKDM4CABCB1ABCC1
SCHEMBL3725785 0.77 DHODH (0.81) DHODHABCB1ABCC1
SCHEMBL29781342 0.77 DHODH (0.48) DHODHNUDT1KDM4CTGFBR1ABCB1
SCHEMBL21056658 0.76 KDM4E (0.47) TGFBR1SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL3726597 0.75 DHODH (0.61) DHODHABCB1ABCC1

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-8691852-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors AMIRALL, S.A. (ES) 2014-04-08 — — US disclosed
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. 2012-11-22 — — US disclosed
US-8258308-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2012-09-04 — — US disclosed
EP-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 — — EP disclosed
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 — — US disclosed
EP-2121614-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2009-11-25 — — EP disclosed
WO-2008077639-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-03 — — 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 (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-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885NUDT1 10/4885KDM6B 601/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885NUDT1 10/4885KDM6B 601/4885

“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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