SCHEMBL999865

SCHEMBL999865

Brc1ccc(-c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.68
ALDH1A1 P00352 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP11B2 P19099 3/20 0.67
CYP11B1 P15538 2/20 0.67
CYP19A1 P11511 2/20 0.57
MKNK1 Q9BUB5 4/20 0.57
MKNK2 Q9HBH9 4/20 0.57
KIF11 P52732 1/20 0.57
MAPK1 P28482 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL24871111 1.00 CYP2A6 (0.68) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL10025261 0.94 CYP11B2 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL13244063 0.94 CYP11B2 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL20664609 0.89 CYP11B2 (0.56) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL13907273 0.88 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL24534338 0.88 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL29360677 0.88 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL24871232 0.87 CYP2A6 (0.57) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL19165598 0.87 CYP11B2 (0.58) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
Bromobenzene SCHEMBL28185461 0.86 CYP2A6 (0.68) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2

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 241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US claimed
EP-3814355-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2025-12-24 EP disclosed
US-20250213560-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING PHENYL GROUP AND USES THEREOF BNH RESEARCH CO., LTD. (KR) 2025-07-03 US disclosed
EP-4501911-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING PHENYL GROUP AND USES THEREOF BNH Research Co., Ltd. (KR) 2025-02-05 EP disclosed
CN-119343331-A Nitrogen-containing heterocyclic compound having phenyl group and use thereof BNH研究有限责任公司 2025-01-21 CN disclosed
CN-110277500-B Organic light emitting device 三星显示有限公司 2024-06-21 CN disclosed
CN-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 CN disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
EP-0598093-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1994-05-25 EP disclosed
WO-1994005660-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-03-17 WO disclosed
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
WO-1993024486-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-12-09 WO disclosed
US-5244886-A Antitumor, oxytocics, contraceptives SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed
WO-1990003385-A1 11β-PHENYL-14βH-STEROIDS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-04-05 WO disclosed
EP-0360369-A1 11-Beta-phenyl-14-beta-H-steroids SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-28 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 CYP2A6 1454/4885ALDH1A1 571/4885CYP1A2 290/4885
US-20250213560-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING PHENYL GROUP AND USES THEREOF PNMT, BDNF, NLN CYP2A6 4212/4885ALDH1A1 911/4885CYP1A2 3145/4885

“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.