SCHEMBL25339488

SCHEMBL25339488

COc1cc2c(cc1[N+](=O)[O-])CN(C)C(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
RAB9A P51151 2/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TMEM97 Q5BJF2 3/20 0.39
POLB P06746 1/20 0.38
ABCB1 P08183 2/20 0.37
ABCG2 Q9UNQ0 2/20 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
SCHEMBL8028805 0.82 MAOA (0.49) LMNAALDH1A1MAPTMAPK1ABCB1
SCHEMBL14993936 0.81 SIRT6 (0.55) SIRT6RAB9ALMNAALDH1A1TDP1
SCHEMBL25341099 0.76 MAOA (0.39) LMNAALDH1A1TDP1MAPTPOLB
SCHEMBL20939331 0.75 MAOA (0.67) SIRT6RAB9ALMNAALDH1A1NPC1
SCHEMBL2204654 0.75 MAOA (0.67) SIRT6RAB9ALMNAALDH1A1NPC1
SCHEMBL29651228 0.75 MAOA (0.67) SIRT6RAB9ALMNAALDH1A1NPC1
SCHEMBL24729070 0.74 ALDH1A1 (0.53) SIRT6RAB9ALMNAALDH1A1TDP1
SCHEMBL2574136 0.74 SIRT6 (0.57) SIRT6RAB9ALMNAALDH1A1TDP1
SCHEMBL17197344 0.73 KMT2A (0.48) SIRT6RAB9ALMNAALDH1A1TDP1
SCHEMBL25946959 0.73 MAOA (0.41) RAB9ALMNAALDH1A1MAPTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 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-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 SIRT6 2677/4885RAB9A 1917/4885LMNA 4260/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 SIRT6 1339/4885RAB9A 1897/4885LMNA 2435/4885

“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.