SCHEMBL19650548

SCHEMBL19650548

c1c[nH]c(-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)n4)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP1A2 P05177 2/20 0.40
CTRC Q99895 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
CYP11B1 P15538 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIM1 P11309 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
NTSR1 P30989 1/20 0.35
ACACA Q13085 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL19650632 0.89 ENPP3 (0.36) ALDH1A1HPGDCYP11B1PIM1MEN1
SCHEMBL19650545 0.89 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2CTRCALDH1A1
SCHEMBL19650631 0.88 PIM1 (0.45) CYP1A1CYP1B1CYP1A2CTRCALDH1A1
SCHEMBL21725416 0.88 MEN1 (0.42) CYP1A1CYP1B1ALDH1A1HPGDCYP11B1
SCHEMBL19650626 0.87 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2CTRCALDH1A1
SCHEMBL21725422 0.86 CYP1A1 (0.55) CYP1A1CYP1B1CYP1A2CTRCALDH1A1
SCHEMBL21725418 0.86 PIM1 (0.45) CYP1A1CYP1B1CYP1A2CTRCALDH1A1
SCHEMBL19650638 0.85 ADORA2A (0.39) CYP1A1CYP1B1ALDH1A1HPGDCYP11B1
SCHEMBL19650660 0.85 ADORA2A (0.36) CYP1A1CYP1B1CYP1A2CTRCALDH1A1
SCHEMBL25478760 0.83 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2CTRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3248966-B1 PYRIMIDINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES HODOGAYA CHEMICAL CO LTD (JP) 2022-12-21 EP disclosed
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices HODOGAYA CHEMICAL CO., LTD. (JP) 2020-02-18 US disclosed
EP-3248966-A1 PYRIMIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-29 EP 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 (1 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-10566543-B2 Pyrimidine derivative and organic electroluminescent devices TYMS, TYMP, DPYD CYP1A1 2367/4885CYP1B1 719/4885CYP1A2 1339/4885

“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.