SCHEMBL1998485

SCHEMBL1998485

O=[C]Nc1cnc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE10A Q9Y233 2/20 0.42
RHOA P61586 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL5780177 0.75 PDGFRB (0.62) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
SCHEMBL969950 0.74 NCF1 (0.59) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL1998487 0.74 PDGFRB (0.56) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
SCHEMBL3815563 0.74 PDGFRB (0.60) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
SCHEMBL7099643 0.74 PDGFRB (0.60) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
SCHEMBL28693008 0.74 PDGFRB (0.60) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL8978256 0.72 PDGFRB (0.58) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
SCHEMBL349142 0.72 KDR (0.55) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL8610333 0.71 PDGFRB (1.00) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1
SCHEMBL28314061 0.71 PDGFRB (0.56) PDGFRBPDGFRAKDM4EHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A PDGFRB 2102/4885PDGFRA 2090/4885KDM4E 295/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 PDGFRB 1726/4885PDGFRA 842/4885KDM4E 3385/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 PDGFRB 635/4885PDGFRA 469/4885KDM4E 607/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A PDGFRB 2102/4885PDGFRA 2090/4885KDM4E 295/4885

“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.