SCHEMBL10044955

SCHEMBL10044955

COc1cc(C)c2occc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2A6 P11509 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAOA P21397 2/20 0.42
PDE4A P27815 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2A13 Q16696 2/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL5150702 0.81 ABL1 (0.45) MAPK1NPC1RAB9AMAPTMEN1
SCHEMBL4984623 0.81 MAOA (0.42) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL28792255 0.81 CYP3A4 (0.47) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL119906 0.81 CYP3A4 (0.47) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL4295622 0.79 MAOA (0.48) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL19783319 0.79 CYP1A2 (0.41) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL15180071 0.77 CA1 (0.47) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL15068207 0.76 CA12 (0.41) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL2056246 0.75 CYP1A2 (0.40) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19
SCHEMBL4988758 0.75 ERN1 (0.53) CYP3A4CYP1A2CYP2A6CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175086-A1 ARYL TRICYCLIC STING AGONIST AND USE THEREOF 深圳真实生物医药科技有限公司 2024-08-29 WO disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 US disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 US disclosed
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-01-03 US disclosed
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-01-03 US disclosed
EP-3124472-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2018-07-25 EP disclosed
EP-3124472-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2018-07-25 EP disclosed
US-9895376-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2018-02-20 US disclosed
US-9895376-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2018-02-20 US disclosed
US-9895376-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2018-02-20 US disclosed
US-9273046-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2016-03-01 US disclosed
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2015-02-12 US disclosed
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2015-02-12 US disclosed
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2015-02-12 US disclosed
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
EP-2797888-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BeiGene, Ltd. (KY) 2014-11-05 EP disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2013097224-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed
WO-2013097224-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 WO 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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 CYP3A4 1638/4885CYP1A2 593/4885CYP2A6 1679/4885
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP3A4 2432/4885CYP1A2 3859/4885CYP2A6 3868/4885
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP3A4 3051/4885CYP1A2 3983/4885CYP2A6 4037/4885
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BRAF, RAF1, ARAF CYP3A4 2432/4885CYP1A2 3859/4885CYP2A6 3868/4885

“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.