SCHEMBL19638082

SCHEMBL19638082

c1cncc(-c2ccc(-c3ccc(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.64
DHODH Q02127 1/20 0.50
CYP11B2 P19099 7/20 0.48
CYP19A1 P11511 2/20 0.48
CYP17A1 P05093 1/20 0.48
GPR84 Q9NQS5 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL21725403 0.96 CYP11B1 (0.66) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL19638272 0.96 CYP11B1 (0.66) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL24252784 0.93 CYP11B1 (0.62) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL21725387 0.93 CYP11B1 (0.62) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL23095069 0.93 CYP11B1 (0.62) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL23095068 0.92 CYP11B1 (0.58) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL19762057 0.92 CYP11B1 (0.65) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL14725222 0.92 CYP11B1 (0.68) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL23095070 0.91 CYP11B1 (0.59) CYP11B1DHODHCYP11B2CYP19A1CYP17A1
SCHEMBL21317598 0.91 CYP11B1 (0.59) CYP11B1DHODHCYP11B2CYP19A1CYP17A1

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 7 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
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices HODOGAYA CHEMICAL CO., LTD. (JP) 2020-02-18 US disclosed
US-20180006239-A1 PYRIMIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 US disclosed
US-20180006239-A1 PYRIMIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 US disclosed
EP-3248966-A1 PYRIMIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-29 EP 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 (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-20180006239-A1 PYRIMIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES TYMS, TYMP, DPYD CYP11B1 2481/4885DHODH 20/4885CYP11B2 2674/4885
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices TYMS, TYMP, DPYD CYP11B1 2481/4885DHODH 20/4885CYP11B2 2674/4885

“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.