SCHEMBL19638041

SCHEMBL19638041

c1cncc(-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7ccccc7c6)cc5)n4)cc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.59
CYP11B1 P15538 8/20 0.59
CYP19A1 P11511 6/20 0.59
CYP17A1 P05093 4/20 0.59
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
DHODH Q02127 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
CYP2A6 P11509 1/20 0.43
PIM1 P11309 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP2C9 P11712 1/20 0.40
PGR P06401 1/20 0.40
GBA1 P04062 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
SCHEMBL23095161 0.96 CYP11B1 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL30296891 0.95 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL17808054 0.95 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL17808046 0.95 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL17917946 0.93 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL30296984 0.93 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL17918002 0.93 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL23095115 0.93 CYP11B1 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL23095071 0.93 ALDH1A1 (0.52) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL23095092 0.92 CYP11B1 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A

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 10 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
EP-3248966-B1 PYRIMIDINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES HODOGAYA CHEMICAL CO LTD (JP) 2022-12-21 EP disclosed
US-10950797-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-03-16 US 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 (3 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 CYP11B2 2674/4885CYP11B1 2481/4885CYP19A1 1706/4885
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices TYMS, TYMP, DPYD CYP11B2 2674/4885CYP11B1 2481/4885CYP19A1 1706/4885
US-10950797-B2 Organic electroluminescent device SLC29A2, SLC29A1, NUDT1 CYP11B2 1102/4885CYP11B1 1493/4885CYP19A1 1301/4885

“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.