SCHEMBL2473569

SCHEMBL2473569

O=Cc1ccccc1-c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.50
▸ PDGFRA P16234 4/20 0.50
▸ PIK3CD O00329 2/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ CYP2A6 P11509 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ BIRC5 O15392 1/20 0.46
▸ MAP4K4 O95819 1/20 0.44
▸ CSNK1G2 P78368 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ TOP2B Q02880 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ NISCH Q9Y2I1 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL25204932 0.83 POLB (0.61) ALDH1A1XDHAKR1C3AKR1C2
SCHEMBL32667946 0.76 PDGFRB (0.77) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL2772360 0.76 PDGFRB (0.77) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL30547072 0.75 PDGFRB (0.60) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL1150740 0.75 PDGFRB (0.54) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL29375329 0.75 CYP1A2 (0.56) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL2624503 0.75 PDGFRB (0.54) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL32691828 0.75 PDGFRB (0.60) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL2198777 0.75 PDGFRB (0.60) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6
SCHEMBL15968103 0.75 CYP1A2 (0.56) PDGFRBPDGFRAPIK3CDPIK3CACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 — — EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 — — EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 — — US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 — — US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 — — US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 — — CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 — — EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 — — US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 — — 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 (2 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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PDGFRB 798/4885PDGFRA 1145/4885PIK3CD 2675/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PDGFRB 798/4885PDGFRA 1145/4885PIK3CD 2675/4885

“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.

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