SCHEMBL19637997

SCHEMBL19637997

c1cncc(-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)n4)cc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.60
CYP11B2 P19099 9/20 0.56
CYP19A1 P11511 5/20 0.56
CYP17A1 P05093 4/20 0.56
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DHODH Q02127 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP2A6 P11509 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
CYP2C9 P11712 1/20 0.40
GBA1 P04062 1/20 0.40
CYP1A2 P05177 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
SCHEMBL17917954 0.98 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL17808170 0.97 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL23095158 0.95 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL17918052 0.94 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1RAB9A
SCHEMBL24252593 0.94 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1RAB9A
SCHEMBL24252242 0.94 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1RAB9A
SCHEMBL30857455 0.94 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP17A1RAB9A
SCHEMBL17808055 0.93 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL21725414 0.93 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL17808030 0.93 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP17A1NPC1

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 8 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
CN-107406415-B Pyrimidine derivative and organic electroluminescent device 保土谷化学工业株式会社 2021-02-19 CN 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 2481/4885CYP11B2 2674/4885CYP19A1 1706/4885
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices TYMS, TYMP, DPYD CYP11B1 2481/4885CYP11B2 2674/4885CYP19A1 1706/4885

“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.