SCHEMBL2560488

SCHEMBL2560488

BrCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.63
CLK4 Q9HAZ1 3/20 0.47
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2A6 P11509 1/20 0.40
AOC3 Q16853 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DYRK1A Q13627 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL6685962 0.80 CLK4 (0.64) ADRB2CLK4ALDH1A1CYP2A6AOC3
SCHEMBL21959073 0.78 ALDH1A1 (0.43) ADRB2TRPA1ALDH1A1TSHRCES2
SCHEMBL3126647 0.77 ADRB2 (0.63) ADRB2CLK4CYP2A6AOC3NPC1
SCHEMBL2427481 0.77 ADRB2 (1.00) ADRB2CLK4CYP2A6AOC3
SCHEMBL533651 0.77 ADRB2 (0.63) ADRB2CLK4ALDH1A1TSHRCYP2A6
SCHEMBL1438427 0.77 ADRB2 (0.63) ADRB2CLK4ALDH1A1TSHRCYP2A6
SCHEMBL6270017 0.77 ADRB2 (0.63) ADRB2CLK4CYP2A6AOC3NPC1
SCHEMBL6850529 0.77 ADRB2 (0.63) ADRB2CLK4CYP2A6AOC3NPC1
SCHEMBL10162103 0.77 ADRB2 (0.63) ADRB2CLK4ALDH1A1TSHRCYP2A6
SCHEMBL16625771 0.77 CLK4 (0.61) ADRB2CLK4ALDH1A1CYP2A6AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661535-A 7H-pyrrolo [3,2-f ] quinazoline derivatives and anti-infective application thereof 中国医学科学院药物研究所 2025-03-21 CN disclosed
CN-119013017-A Pharmaceutical composition for treating cancer comprising an anticancer agent and a novel compound having an inhibitory activity on prostaglandin E2 receptor 治纳辅医药科技有限公司 2024-11-22 CN disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
WO-2023158221-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING ANTICANCER AGENT AND NOVEL COMPOUND HAVING INHIBITORY ACTIVITY WITH RESPECT TO PROSTAGLANDIN E2 RECEPTORS 주식회사 카나프테라퓨틱스 2023-08-24 WO disclosed
CN-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 CN disclosed
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed
EP-0031796-B1 4-HETEROCYCLYL-4'-VINYL-STILBENES CIBA-GEIGY AG (CH) 1985-01-23 EP disclosed
EP-0020298-B1 BENZOXAZOLYL STILBENES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS OPTICAL BRIGHTENERS FOR ORGANIC MATERIALS CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
US-4366189-A WHITENERS CIBA-GEIGY CORPORATION (US) 1982-12-28 US disclosed
US-4297234-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1981-10-27 US disclosed
EP-0031796-A2 4-Heterocyclyl-4'-vinyl-stilbenes CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed
EP-0020298-A1 Benzoxazolyl stilbenes, process for their preparation and their use as optical brighteners for organic materials CIBA-GEIGY AG (CH) 1980-12-10 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 (1 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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 ADRB2 109/4885CLK4 3740/4885TRPA1 367/4885

“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.