SCHEMBL18875034

SCHEMBL18875034

Cc1cc2c(cc1[N+](=O)[O-])CNCC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.54
ADRA2A P08913 3/20 0.54
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ASIC3 Q9UHC3 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
SCHEMBL18875031 1.00 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL8258918 0.82 PNMT (0.55) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL25208667 0.81 PNMT (0.51) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL30412091 0.81 PNMT (0.51) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL417912 0.81 MAPT (0.60) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL13875069 0.81 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL29557821 0.81 MAPT (0.60) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL24040085 0.81 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL24869958 0.81 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL31335752 0.81 MAPT (0.60) PNMTADRA2AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 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-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT ALK, NPM1, ETV6 PNMT 1417/4885ADRA2A 4724/4885HTR2A 4720/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 PNMT 2911/4885ADRA2A 4209/4885HTR2A 4559/4885

“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.