SCHEMBL4993186

SCHEMBL4993186

C=CCc1c(C(=O)OC)ccc([N+](=O)[O-])c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
ERN1 O75460 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHBP P24387 1/20 0.38

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
SCHEMBL29164229 0.88 PDGFRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16401163 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL10319562 0.82 ALDH1A1 (0.42) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30669448 0.82 ALDH1A1 (0.42) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29164219 0.81 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10320183 0.81 TDP1 (0.45) ALDH1A1MAPK1L3MBTL1TDP1POLB
SCHEMBL428326 0.80 GPR35 (0.42) ALDH1A1MAPTTDP1POLBGABRA1
SCHEMBL9480791 0.80 CA12 (0.40) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL647368 0.79 SMN1; SMN2 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL27883380 0.78 SIRT6 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
EP-1501817-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US disclosed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US disclosed
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES ROCHE PALO ALTO LLC. 2003-12-11 US disclosed
WO-2003091236-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 PDGFRB 1532/4885FGFR1 903/4885PDGFRA 1026/4885
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES RPS6KA1, RPS6KB1, RPS6KA6 PDGFRB 1532/4885FGFR1 903/4885PDGFRA 1026/4885
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK PDGFRB 234/4885FGFR1 1176/4885PDGFRA 321/4885

“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.