SCHEMBL1923743

SCHEMBL1923743

O=[N+]([O-])c1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 1/20 0.41
RHEB Q15382 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
KCNJ1 P48048 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
DHFR P00374 1/20 0.38
TYMS P04818 1/20 0.38

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
SCHEMBL17002553 0.81 CYP1A2 (0.43) POLBPKMGAAKMT2ARAB9A
SCHEMBL1923869 0.80 NPC1 (0.49) GRIN1GRIN2BPOLBPKMMEN1
SCHEMBL22191835 0.79 NPC1 (0.53) POLBMEN1GAAKMT2AMAPT
SCHEMBL17000121 0.77 RIPK1 (0.49) RIPK1GRIN1GRIN2BPOLBPKM
SCHEMBL1923873 0.76 HTT (0.42) GRIN1GRIN2BMEN1KMT2AGSK3B
SCHEMBL1925524 0.76 RIPK1 (0.48) RIPK1MEN1KMT2AGSK3BMAPT
SCHEMBL29822933 0.73 RIPK1 (0.71) RIPK1GRIN1GRIN2BPOLBPKM
SCHEMBL28642046 0.73 RIPK1 (0.71) RIPK1GRIN1GRIN2BPOLBPKM
SCHEMBL31275117 0.73 RAB9A (0.38) PKMMEN1KMT2ALMNAALDH1A1
SCHEMBL18371614 0.72 KLKB1 (0.42)

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
EP-1809628-B1 PHENYLUREA DERIVATIVES USED AS INHIBITORS OF TYROSINKINASE FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2011-06-08 EP disclosed
US-7696224-B2 Phenylurea derivatives as inhibitors of tyrosine kinases for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2010-04-13 US disclosed
US-20080207682-A1 Phenylurea Derivatives As Inhibitors Of Tyrosine Kinases For The Treatment Of Tumour Diseases MERCK PATENT GMBH (DE) 2008-08-28 US disclosed
EP-1809628-A1 PHENYLUREA DERIVATIVES USED AS INHIBITORS OF TYROSINKINASE FOR TREATING TUMORS Merck Patent GmbH (DE) 2007-07-25 EP disclosed
WO-2006042599-A1 PHENYLUREA DERIVATIVES USED AS INHIBITORS OF TYROSINKINASE FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2006-04-27 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 (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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 RIPK1 1423/4885GRIN1 1727/4885GRIN2B 1165/4885
US-20080207682-A1 Phenylurea Derivatives As Inhibitors Of Tyrosine Kinases For The Treatment Of Tumour Diseases TIE1, RET, FLT1 RIPK1 781/4885GRIN1 4587/4885GRIN2B 3345/4885

“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.