SCHEMBL18457438

SCHEMBL18457438

c1ccc(NCCn2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.56
CYP19A1 P11511 4/20 0.54
SOD1 P00441 2/20 0.54
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
TBXAS1 P24557 2/20 0.53
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
CACNA1B Q00975 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL11495035 0.90 SOD1 (0.67) QPCTCYP19A1SOD1NPC1RAB9A
SCHEMBL10852247 0.83 TBXAS1 (0.62) QPCTTBXAS1POLBNPC1
SCHEMBL9565898 0.82 CYP11B1 (0.55) QPCTCYP19A1SOD1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10852436 0.82 TBXAS1 (0.63) QPCTTBXAS1POLBMAPTNPC1
SCHEMBL13164564 0.82 CYP1A2 (0.56) QPCTCYP11B1CYP11B2CYP1A2POLB
SCHEMBL25039563 0.81 KMT2A (0.58) QPCTSOD1CYP11B1CYP11B2CYP1A2
SCHEMBL4173553 0.81 QPCT (0.60) QPCTCYP19A1SOD1TBXAS1CACNA1B
SCHEMBL4939445 0.79 QPCT (0.52) QPCTCYP19A1SOD1CYP11B1CYP11B2
SCHEMBL5551707 0.79 SOD1 (0.53) QPCTSOD1CYP11B1TBXAS1NPC1
SCHEMBL27713606 0.77 ALDH1A1 (0.54) MAPT

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-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 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-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD QPCT 1030/4885CYP19A1 1141/4885SOD1 4106/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD QPCT 1030/4885CYP19A1 1141/4885SOD1 4106/4885

“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.