SCHEMBL19666503

SCHEMBL19666503

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ GSK3B P49841 7/20 0.45
▸ GSK3A P49840 6/20 0.45
▸ AURKA O14965 3/20 0.45
▸ PTK2 Q05397 3/20 0.42
▸ PLK1 P53350 5/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ ITK Q08881 1/20 0.35

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
SCHEMBL19666331 0.86 MAPK8 (0.39) AURKAPTK2EGFRSTAT6ITK
SCHEMBL19666624 0.86 MEN1 (0.49) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666509 0.83 MEN1 (0.44) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666472 0.79 PIN1 (0.61) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666670 0.75 MAPK8 (0.37) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666639 0.75 GSK3A (0.41) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666641 0.75 GSK3A (0.41) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19666586 0.71 STAT6 (0.41) AURKAEGFRSTAT6ITK
SCHEMBL19666460 0.70 MAPK8 (0.40) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL29717706 0.70 GSK3B (0.45) MEN1CYP1A2CYP3A4MAPTCYP2C9

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
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 — — WO disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 — — 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-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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