SCHEMBL5991845

SCHEMBL5991845

NCc1ccnc(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.70
ASIC3 Q9UHC3 2/20 0.58
LOX P28300 4/20 0.51
LOXL3 P58215 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
CSNK2A1 P68400 2/20 0.44
NOTUM Q6P988 1/20 0.44
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
ADORA2A P29274 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL352525 0.83 LOXL2 (0.61) LOXL2LOXLOXL3
SCHEMBL14303459 0.83 LOXL2 (0.64) LOXL2ASIC3LOXLOXL3IRAK4
SCHEMBL18049294 0.82 LOXL2 (1.00) LOXL2LOXLOXL3HSP90AA1
SCHEMBL18069362 0.82 LOXL2 (0.76) LOXL2LOX
SCHEMBL28505430 0.81 LOXL2 (0.58) LOXL2ASIC3LOXLOXL3IRAK4
SCHEMBL18233498 0.81 LOXL2 (0.62) LOXL2LOXLOXL3TAAR1NOTUM
SCHEMBL18049349 0.81 LOXL2 (0.62) LOXL2LOXLOXL3TAAR1IRAK4
SCHEMBL30485802 0.81 LOXL2 (0.56) LOXL2LOXLOXL3HSP90AA1
SCHEMBL7036361 0.81 LOXL2 (0.56) LOXL2LOXLOXL3HSP90AA1
SCHEMBL10434579 0.81 ASIC3 (0.53) LOXL2ASIC3AURKAHSP90AA1PRKACA

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
CN-104045683-A Polypeptide fluorescence cyclization method based on metal iridium complex and cyclized polypeptide SUZHOU INST NANO TECH & NANO B 2014-09-17 CN claimed
CN-101750486-A Method for labeling antibody by fluorophore generated by combination of iridium coordination compound and histidine SUNA TECH INC 2010-06-23 CN claimed
CN-107922400-B Muscarinic M1 receptor positive allosteric modulators 苏文生命科学有限公司 2021-05-11 CN disclosed
US-10308620-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2019-06-04 US disclosed
US-20180155302-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-06-07 US disclosed
EP-3303331-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Suven Life Sciences Limited (IN) 2018-04-11 EP disclosed
WO-2016198937-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2016-12-15 WO disclosed
CN-104045683-A Polypeptide fluorescence cyclization method based on metal iridium complex and cyclized polypeptide SUZHOU INST NANO TECH & NANO B 2014-09-17 CN disclosed
WO-2014065411-A1 SULFONAMIDE DERIVATIVE AS HARMFUL-ORGANISM CONTROL AGENT FOR AGRICULTURAL/HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2014-05-01 WO disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
CN-1180050-C Metal ligand compound, luminous device and display device ������������ʽ���� 2004-12-15 CN 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX LOXL2 4450/4885ASIC3 3481/4885LOX 3074/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 LOXL2 1042/4885ASIC3 4850/4885LOX 466/4885
US-10308620-B2 Muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 LOXL2 4725/4885ASIC3 801/4885LOX 4619/4885
US-20180155302-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM3 LOXL2 4725/4885ASIC3 801/4885LOX 4619/4885

“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.