SCHEMBL2200617

SCHEMBL2200617

NC(=O)Nc1[nH]c(-c2cc(Cl)ccc2OCCN2CCCC2=O)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
PDK2 Q15119 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
F10 P00742 1/20 0.38
LMNA P02545 1/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP3 P08254 1/20 0.36
MMP10 P09238 1/20 0.36

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
SCHEMBL12509583 0.90 KIT (0.47) KITKDRFLT3PDK2KMT2A
SCHEMBL2200461 0.85 HTR2C (0.48) LMNAHTR2AHTR2CSMN1; SMN2NPC1
SCHEMBL2198513 0.83 HTR2A (0.49) KMT2AMEN1HTR2AHTR2C
SCHEMBL2200821 0.82 CSF1R (0.41) KDRFLT3KMT2AMEN1POLB
SCHEMBL2201731 0.81 JAK2 (0.40) KMT2AMEN1BRD4NPC1RAB9A
SCHEMBL2200789 0.80 MAPT (0.50) KMT2AMEN1HTR2CBRD4NPC1
SCHEMBL2198505 0.80 TP53 (0.40) BRD4SMN1; SMN2NPC1RAB9A
SCHEMBL13685531 0.80 JAK2 (0.38) FLT3KMT2AMEN1F10BRD4
SCHEMBL2201027 0.79 HTR2C (0.39) KMT2AMEN1LMNAHTR2CBRD4
SCHEMBL13446749 0.79 JAK2 (0.41) KDRKMT2AMEN1BRD4NPC1

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
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP 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-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST KIT 779/4885KDR 46/4885FLT3 2918/4885

“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.