SCHEMBL1968469

SCHEMBL1968469

CCOC(=O)c1cc2cc(F)ccc2n1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.49
NOD1 Q9Y239 3/20 0.49
TSHR P16473 3/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
F10 P00742 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL17323081 0.86 MAPT (0.53) NOD2NOD1KDM4EALDH1A1HPGD
SCHEMBL2281043 0.84 ALDH1A1 (0.64) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL17323111 0.84 LMNA (0.47) NOD2NOD1KDM4EALDH1A1HSD17B10
SCHEMBL7751603 0.83 NOD2 (0.50) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL15908740 0.83 NOD2 (0.49) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL15908730 0.83 LMNA (0.49) NOD2NOD1KDM4EALDH1A1MAPT
SCHEMBL17327016 0.82 L3MBTL1 (0.55) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17323107 0.82 CA12 (0.47) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL1585615 0.81 NOD2 (0.60) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL5622265 0.80 NOD2 (0.46) NOD2NOD1TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515601-A Preparation method of anti-tumor isoindolinone compound 华东理工大学 2024-08-20 CN disclosed
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
WO-2014115171-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-31 WO disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 US 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 (2 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-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE HIF1AN, HIF1A, EGLN3 NOD2 4164/4885NOD1 4514/4885TSHR 3312/4885
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF TPH2, IDO2, INMT NOD2 1110/4885NOD1 2245/4885TSHR 773/4885

“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.