SCHEMBL19666509

SCHEMBL19666509

CC1(Nc2ncc([N+](=O)[O-])c(Nc3ccc(CNC(=O)OC(C)(C)C)cc3)n2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ PTK2 Q05397 3/20 0.43
▸ GSK3B P49841 6/20 0.42
▸ GSK3A P49840 5/20 0.42
▸ AURKA O14965 2/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ PLK1 P53350 3/20 0.39
▸ SYK P43405 1/20 0.38
▸ FPR3 P25089 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ STAT6 P42226 1/20 0.37

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
SCHEMBL19666624 0.89 MEN1 (0.49) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666334 0.87 IGF1R (0.46) MAPTIGF1RBRD4SYKFPR3
SCHEMBL19666503 0.83 MEN1 (0.46) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL5416315 0.81 IGF1R (0.52) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL16245917 0.80 PIN1 (0.55) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666672 0.77 MAPK8 (0.39) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL2177544 0.75 BRD4 (0.48) MAPTIGF1RBRD4FPR3FPR2
SCHEMBL19666586 0.75 STAT6 (0.41) AURKASYKSTAT6
SCHEMBL31455842 0.74 BRD4 (0.47) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL30815412 0.73 MAPT (0.57) MEN1MAPTKMT2AIGF1RBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
EP-3464312-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS Celgene Corporation (US) 2019-04-10 — — EP disclosed
US-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORP (US) 2018-10-04 — — US disclosed
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 — — US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 — — US disclosed
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 — — 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-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC MEN1 1965/4885CYP1A2 1589/4885CYP3A4 2675/4885
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC MEN1 1965/4885CYP1A2 1589/4885CYP3A4 2675/4885
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC MEN1 1965/4885CYP1A2 1589/4885CYP3A4 2675/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC MEN1 1965/4885CYP1A2 1589/4885CYP3A4 2675/4885

“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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