SCHEMBL2748464

SCHEMBL2748464

O=C(O)c1cccc2cc(Oc3ccnc(Cl)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.53
PTPN1 P18031 1/20 0.48
AURKA O14965 6/20 0.47
MET P08581 6/20 0.47
TEK Q02763 6/20 0.47
AURKB Q96GD4 6/20 0.47
LCK P06239 4/20 0.46
ABL1 P00519 1/20 0.46
LYN P07948 1/20 0.46
PPARG P37231 1/20 0.45
CSF1R P07333 1/20 0.44
BRAF P15056 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR2 P21802 1/20 0.44
FLT4 P35916 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 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
SCHEMBL3308606 0.87 CDC25B (0.46) KDRPPARGNR4A1NR4A2NR4A3
SCHEMBL22048761 0.86 KDR (0.55) KDRAURKAMETTEKAURKB
SCHEMBL22048385 0.85 KDR (0.67) KDRAURKAMETTEKAURKB
SCHEMBL2706583 0.85 KDR (0.50) KDRPTPN1AURKAMETTEK
SCHEMBL2708541 0.85 KDR (0.49) KDRPTPN1AURKAMETTEK
SCHEMBL2747559 0.84 KDR (0.63) KDRPTPN1AURKAMETTEK
SCHEMBL272878 0.84 KDR (0.55) KDRPTPN1AURKAMETTEK
SCHEMBL272837 0.84 KDR (0.56) KDRPTPN1FLT1FLT4
SCHEMBL2747173 0.82 KDR (0.53) KDRPTPN1AURKAMETTEK
SCHEMBL2747777 0.81 KDR (0.69) KDRAURKAMETTEKAURKB

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
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
EP-3418277-B1 SUBSTITUTED AMINO SIX-MEMBERED NITRIC HETEROCYCLIC RING COMPOUND AND PREPARATION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-10-14 EP disclosed
US-20200172510-A1 SUBSTITUTED AMINO SIX-MEMBERED NITRIC HETEROCLIC RING COMPOUND AND PREPARATION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-04 US disclosed
US-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 US disclosed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 WO disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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 (5 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885PTPN1 1560/4885AURKA 4148/4885
US-20100113467-A1 Organic Compounds SLCO2A1, SLCO1B1, SLCO2B1 KDR 4081/4885PTPN1 3636/4885AURKA 312/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885PTPN1 1560/4885AURKA 4148/4885
US-20200172510-A1 SUBSTITUTED AMINO SIX-MEMBERED NITRIC HETEROCLIC RING COMPOUND AND PREPARATION AND USE THEREOF NOS2, NOS1, NOS3 KDR 157/4885PTPN1 334/4885AURKA 790/4885
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof NOS2, NOS1, NOS3 KDR 146/4885PTPN1 374/4885AURKA 724/4885

“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.