SCHEMBL3577290

SCHEMBL3577290

Cn1ccc2cccc(Br)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 2/20 0.41
BRPF1 P55201 2/20 0.41
BRD9 Q9H8M2 2/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
BRD1 O95696 1/20 0.37
FEN1 P39748 1/20 0.37
GAA P10253 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CNR2 P34972 3/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL10005837 0.79 BRD4 (0.42) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL2032060 0.78 JAK2 (0.44) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL31364684 0.78 BRD9 (0.41) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL13061910 0.78 BRD9 (0.41) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL31743137 0.78 MAPT (0.42) TAF1BRPF1BRD9BRD4CREBBP
Hydrochloric Acid SCHEMBL3576881 0.76 JAK2 (0.43) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL31723365 0.75 BRD4 (0.39) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL27192200 0.75 BRD9 (0.39) TAF1BRPF1BRD9BRD4CREBBP
SCHEMBL2178459 0.72 CDK4 (0.43) TAF1BRPF1CDK4CCND1CCNE2
SCHEMBL30529453 0.72 GAA (0.56) BRD9BRD4CDK4CCND1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708540-B1 PYRIMIDO-DIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-07-25 EP disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
EP-2708540-A1 PYRIMIDO-DIAZEPINONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2014-03-19 EP disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 TAF1 2344/4885BRPF1 2347/4885BRD9 281/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA TAF1 3594/4885BRPF1 2449/4885BRD9 2899/4885
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 TAF1 4581/4885BRPF1 823/4885BRD9 290/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS TAF1 3678/4885BRPF1 1491/4885BRD9 2691/4885

“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.