SCHEMBL3360828

SCHEMBL3360828

COc1cc(Br)c2cc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
DYRK1A Q13627 2/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
CHEK1 O14757 1/20 0.38
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
RHEB Q15382 1/20 0.37
BRD4 O60885 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 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
SCHEMBL30668846 0.82 PRKCI (0.45) PRKCIPDCD1CD274ATRATRIP
SCHEMBL20593272 0.82 PRKCI (0.45) PRKCIPDCD1CD274ATRATRIP
SCHEMBL16612853 0.81 BRD4 (0.43) DYRK1ACLK1CLK2CLK3CDK5
SCHEMBL23148049 0.79 AXL (0.44) PRKCIDYRK1ACLK1CLK2CLK3
SCHEMBL29722091 0.79 TRPA1 (0.38) DYRK1ACLK1CLK2CLK3CDK5
SCHEMBL23147607 0.79 TRPA1 (0.38) DYRK1ACLK1CLK2CLK3CDK5
SCHEMBL14927706 0.77 ADORA2A (0.49) PRKCIDYRK1APDCD1CD274CHEK1
SCHEMBL29138127 0.76 PRKCI (0.39) PRKCIDYRK1ARHEB
SCHEMBL1835480 0.76 BRD4 (0.42) PRKCIDYRK1ABRD4MAPK1TTBK1
SCHEMBL29954439 0.76 ALDH1A1 (0.38) DYRK1ACLK1CLK2CLK3CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527774-B2 Estrogen-related receptor alpha modulators LEAD PHARMA HOLDING B.V. (NL) 2026-01-20 US disclosed
US-20250268872-A2 ESTROGEN-RELATED RECEPTOR ALPHA MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2025-08-28 US disclosed
EP-3994138-B1 ESTROGEN-RELATED RECEPTOR ALPHA (ERRALPHA) MODULATORS LEAD PHARMA HOLDING BV (NL) 2025-04-02 EP disclosed
CN-114341135-B Estrogen-related receptor alpha (erra) modulators 领先制药控股公司 2025-03-18 CN disclosed
CN-117466884-A Heterocyclic compounds or salts thereof as ATR kinase inhibitors, pharmaceutical compositions containing same and uses thereof 德州大学系统董事会 2024-01-30 CN disclosed
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
CN-111205310-B Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-12-19 CN disclosed
CN-111867590-B Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2023-11-17 CN disclosed
EP-3765008-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-06-07 EP disclosed
EP-3765008-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-06-07 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 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 (3 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK PRKCI 748/4885DYRK1A 2128/4885CLK1 3390/4885
US-12527774-B2 Estrogen-related receptor alpha modulators ESR2, ESRRA, ESRRB PRKCI 2747/4885DYRK1A 3169/4885CLK1 4785/4885
US-20250268872-A2 ESTROGEN-RELATED RECEPTOR ALPHA MODULATORS ESRRA, ESRRB, ESR2 PRKCI 735/4885DYRK1A 2341/4885CLK1 4614/4885

“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.