SCHEMBL19650656

SCHEMBL19650656

c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc[nH]5)c5ccccc45)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
NTSR1 P30989 1/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
ADORA2A P29274 2/20 0.39
CTRC Q99895 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACACA Q13085 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL21725421 0.91 PIM1 (0.45) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL21725376 0.88 CYP1A1 (0.45) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL22115580 0.87 CYP1A1 (0.55) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL21725422 0.86 CYP1A1 (0.55) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19650631 0.86 PIM1 (0.45) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19650626 0.85 CYP1A1 (0.49) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19650548 0.83 CYP1A1 (0.41) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL21725418 0.83 PIM1 (0.45) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL21725404 0.83 ENPP3 (0.41) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL25682916 0.82 CYP1A1 (0.53) CYP1A1CYP1B1MEN1KMT2AALDH1A1

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 719/4885MEN1 4184/4885

“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.