SCHEMBL434201

SCHEMBL434201

[c]1c(-c2ccccc2)ccnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.44
NOTUM Q6P988 1/20 0.36
PRKACA P17612 2/20 0.35
AURKA O14965 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ADORA2A P29274 1/20 0.35
PLAU P00749 1/20 0.34
CDK5 Q00535 3/20 0.33
ABL1 P00519 2/20 0.33
LCK P06239 2/20 0.33
FYN P06241 2/20 0.33
KDR P35968 2/20 0.33
MAP2K2 P36507 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAP2K1 Q02750 2/20 0.33
ACVR1 Q04771 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL6214329 0.83 ASIC3 (0.46) ASIC3HSP90AA1KDRALDH1A1NPC1
SCHEMBL14880353 0.79 NOTUM (0.38) NOTUMALDH1A1CCNB2CDK1CCNB1
SCHEMBL5254077 0.77 ASIC3 (0.38) ASIC3NOTUMPRKACAAURKAHSP90AA1
SCHEMBL9138658 0.77 PSMB5 (0.36) ASIC3NOTUMPRKACAAURKAHSP90AA1
SCHEMBL5800518 0.72 CALM1 (0.39) PDPK1ALDH1A1GSK3AGSK3BCCNB2
SCHEMBL8830170 0.71 LTA4H (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL7024221 0.68 MEN1 (0.47) HSP90AA1ADORA2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL379055 0.68 ALDH1A1 (0.47) ASIC3NOTUMALDH1A1NPC1RAB9A
SCHEMBL723026 0.67 ALDH1A1 (0.40) ASIC3NOTUMADORA2AALDH1A1NPC1
SCHEMBL559143 0.67 MTOR (0.39) ASIC3NOTUMPRKACAAURKAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B ASIC3 1510/4885NOTUM 3945/4885PRKACA 4335/4885

“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.