SCHEMBL3937592

SCHEMBL3937592

NCc1nc(Cl)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.47
PDE5A O76074 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.44
GBA1 P04062 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
GLA P06280 3/20 0.42
HPGD P15428 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
NQO2 P16083 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL4904315 0.82 APP (0.44) APPPDE5AMAOAMAOBKDM4E
SCHEMBL27691393 0.78 APP (0.46) APPPDE5AMAOAMAOBKDM4E
SCHEMBL6238919 0.78 KMT2A (0.64) MAOAMAOBKDM4EALDH1A1KMT2A
SCHEMBL1991028 0.78 ACHE (0.45) APPPDE5AMAOAMAOBKDM4E
Hydrochloric Acid SCHEMBL27146527 0.76 KMT2A (0.62) MAOAMAOBKDM4EALDH1A1KMT2A
SCHEMBL6722631 0.74 TLR8 (0.47) APPKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1620592 0.74 DCPS (0.63) APPPDE5AMAOAMAOBKDM4E
SCHEMBL29487320 0.74 DCPS (0.63) APPPDE5AMAOAMAOBKDM4E
SCHEMBL92707 0.73 MAOA (0.56) APPPDE5AMAOAMAOBKDM4E
SCHEMBL29389300 0.73 MAOA (0.56) APPPDE5AMAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R APP 3921/4885PDE5A 1667/4885MAOA 151/4885

“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.