SCHEMBL974759

SCHEMBL974759

CSc1nnc(-c2ccccc2)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
DRD2 P14416 2/20 0.63
KDM4E B2RXH2 6/20 0.61
HPGD P15428 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
KMT2A Q03164 3/20 0.57
HSD17B10 Q99714 2/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 1/20 0.55
RGS12 O14924 1/20 0.54
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL1544895 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL1544564 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL10916439 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL4172596 0.81 ALDH1A1 (0.70) ALDH1A1DRD2KDM4EHPGDCYP1A2
SCHEMBL1545223 0.81 TSHR (0.59) ALDH1A1KDM4EKMT2AGAAL3MBTL1
SCHEMBL822698 0.81 HSD11B1 (0.68) ALDH1A1DRD2KMT2AL3MBTL1TSHR
SCHEMBL9224636 0.80 DRD2 (0.77) ALDH1A1DRD2KDM4EHPGDCYP1A2
SCHEMBL9223454 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL10915111 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL4197148 0.78 NPC1 (0.81) DRD2KMT2AL3MBTL1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150184307-A1 SILVER ELECTROPLATING SOLUTION DAIWA FINE CHEMICALS CO., LTD. (LABORATORY) (JP) 2015-07-02 US disclosed
EP-2881497-A1 ELECTROSILVER PLATING FLUID Daiwa Fine Chemicals Co., Ltd. (JP) 2015-06-10 EP disclosed
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070284258-A1 Method For Silver Plating DAIWA FINE CHEMICALS CO., LTD. (JP) 2007-12-13 US disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO disclosed
EP-0495226-B1 3-Aryl-5-alkylthio-4H-1,2,4-triazoles for treatment of hyperreflexia due to spinal trauma MERRELL DOW PHARMA (US) 1995-10-11 EP disclosed
US-5260450-A Anticonvulsants MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-09 US disclosed
US-5158968-A 3-aryl-5-alkylthio-4H-1,2,4-traizoles for treatment of hyperreflexia due to spinal trauma MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-27 US disclosed
US-5143933-A Anticonvulsants MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-01 US disclosed
EP-0495226-A2 3-Aryl-5-alkylthio-4H-1,2,4-triazoles for treatment of hyperreflexia due to spinal trauma MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-22 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 ALDH1A1 1944/4885DRD2 4695/4885KDM4E 397/4885

“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.