SCHEMBL11081014

SCHEMBL11081014

CCn1ccc2cccc(C)c21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
P2RX7 Q99572 1/20 0.45
CYP19A1 P11511 8/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL27827799 0.82 P2RX7 (0.53) ADRA2AADRA2BADRA2CP2RX7CDK4
SCHEMBL28841573 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CP2RX7HTR2A
SCHEMBL2040320 0.79 P2RX7 (0.48) ADRA2AADRA2BADRA2CP2RX7HTR2A
SCHEMBL24130695 0.78 CYP19A1 (0.39) CYP19A1HTR2AHTR2CCDK4CCND1
SCHEMBL14473516 0.78 ADRA2A (0.49) ADRA2AADRA2BADRA2CCYP19A1HTR2A
SCHEMBL12383523 0.78 CYP19A1 (0.45) CYP19A1HTR2AHTR2CCDK4CCND1
SCHEMBL6030394 0.78 CYP19A1 (0.45) CYP19A1HTR2AHTR2CCDK4CCND1
SCHEMBL15676807 0.78 BACE1 (0.48) CYP19A1HTR2AHTR2CCDK4CCND1
SCHEMBL12543028 0.78 P2RX7 (0.47) ADRA2AADRA2BADRA2CP2RX7CDK4
SCHEMBL25010273 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CP2RX7HTR2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006014-B1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LTD (CN) 2023-10-11 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 US disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
CN-107849015-A benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2018-03-27 CN disclosed
US-20170244043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-24 US disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
EP-1919881-B1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-04-10 EP disclosed
US-4443615-A ANILINE, GLYCOL OR EPOXIDE, SILICA AND/OR ALUMINA CATALYST TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 US 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 (4 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-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 ADRA2A 3788/4885ADRA2B 2632/4885ADRA2C 3874/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 ADRA2A 3788/4885ADRA2B 2632/4885ADRA2C 3874/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 ADRA2A 3788/4885ADRA2B 2632/4885ADRA2C 3874/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 ADRA2A 3788/4885ADRA2B 2632/4885ADRA2C 3874/4885

“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.