SCHEMBL1180451

SCHEMBL1180451

Cc1cc(Br)cnc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 2/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
AURKA O14965 1/20 0.32
S1PR5 Q9H228 2/20 0.31
MET P08581 1/20 0.31
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL15052308 0.83 AAK1 (0.38) AAK1S1PR1S1PR3SMN1; SMN2KMT2A
SCHEMBL29026409 0.80 AAK1 (0.36) AAK1S1PR1S1PR3SMN1; SMN2
SCHEMBL11962330 0.80 NOS3 (0.43) S1PR1LRRK2KMT2AAURKAS1PR5
SCHEMBL1293363 0.79 PLAU (0.39) S1PR1S1PR3GABRA1GABRG2GABRB3
SCHEMBL31087498 0.79 MET (0.38) AAK1S1PR1GABRA1GABRG2GABRB3
SCHEMBL26602992 0.79 MET (0.38) AAK1S1PR1GABRA1GABRG2GABRB3
SCHEMBL789861 0.79 HTT (0.39) AAK1S1PR1S1PR3GABRA1GABRG2
SCHEMBL188880 0.78 TRPM8 (0.39) AAK1S1PR1MET
SCHEMBL323430 0.78 AAK1 (0.38) AAK1S1PR1S1PR3SMN1; SMN2KMT2A
SCHEMBL11951671 0.77 LRRK2 (0.33) LRRK2KMT2AAURKAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005614-B Pyrimidine pyridine CDK inhibitor and preparation method and application thereof 中国药科大学 2025-02-07 CN disclosed
CN-118005614-A Pyrimidine pyridine CDK inhibitor and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
CN-102648198-A Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD 2012-08-22 CN disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
CN-101522670-B Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-05-23 CN disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
CN-1960970-A Pyrrolidine derivatives as CB1-receptor antagonists TANABE SEIYAKU CO (JP) 2007-05-09 CN disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 AAK1 1638/4885S1PR1 303/4885S1PR3 532/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 AAK1 965/4885S1PR1 1/4885S1PR3 6/4885
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 AAK1 3311/4885S1PR1 70/4885S1PR3 44/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 AAK1 1006/4885S1PR1 1/4885S1PR3 6/4885

“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.