SCHEMBL2003887

SCHEMBL2003887

NC(=O)c1cccc2oncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CSF1R P07333 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL29556611 0.84 NR4A1 (0.46) ALDH1A1KDM4EL3MBTL1HPGDTSHR
SCHEMBL2003884 0.82 TP53 (0.38) ALDH1A1GLAKDM4EHSD17B10MAPT
SCHEMBL2005193 0.72 BRD4 (0.42) ALDH1A1KDM4EL3MBTL1HSD17B10MAPT
SCHEMBL944788 0.71 PLK4 (0.47) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL6135290 0.71 ATM (0.61) ALDH1A1GLAKDM4EGAAL3MBTL1
SCHEMBL2005190 0.71 BRD4 (0.41) TP53SMN1; SMN2BRD4
SCHEMBL2736863 0.71 CYP3A4 (0.44) ALDH1A1GLAKDM4EGAAHSD17B10
SCHEMBL827158 0.70 ALDH1A1 (0.46) ALDH1A1GLAKDM4EGAAL3MBTL1
SCHEMBL30669447 0.70 ALDH1A1 (0.46) ALDH1A1GLAKDM4EGAAL3MBTL1
SCHEMBL18320640 0.70 KDM4E (0.45) ALDH1A1KDM4EGAAL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101754955-A Indazole, benzisoxazole and benzisothiazole compounds as protein kinase inhibitors ABBOTT LAB 2010-06-23 CN claimed
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
CN-101754955-A Indazole, benzisoxazole and benzisothiazole compounds as protein kinase inhibitors ABBOTT LAB 2010-06-23 CN disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (1 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 ALDH1A1 2782/4885GLA 4075/4885KDM4E 3385/4885

“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.