SCHEMBL3182747

SCHEMBL3182747

CCCc1ccc(NC(=O)N(C)c2ccc(Oc3ccncc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.49
PSMB5 P28074 1/20 0.47
KDR P35968 2/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
RAF1 P04049 3/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
FLT1 P17948 1/20 0.42
GALR3 O60755 1/20 0.42
MAPK13 O15264 1/20 0.42

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
SCHEMBL3176365 0.90 RAB9A (0.55) NPY5RKDRMAPTKMT2APOLB
SCHEMBL3182702 0.85 MAPT (0.60) PSMB5KDRMAPTMEN1KMT2A
SCHEMBL3182360 0.84 GALR3 (0.55) NPY5RMAPTPOLBRAF1RAB9A
SCHEMBL3187673 0.74 RAB9A (0.77) KDRMAPTMEN1KMT2APOLB
SCHEMBL3678231 0.73 TSHR (0.58) POLB
SCHEMBL19985111 0.73 CYP3A4 (0.51) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18666169 0.72 MTNR1A (0.61) MAPTKMT2APOLBRAF1SMN1; SMN2
SCHEMBL12201799 0.71 RAF1 (0.44) NPY5RKDRMAPTPOLBRAF1
SCHEMBL3182922 0.71 KDR (0.70) KDRMAPTMEN1KMT2APOLB
SCHEMBL13528796 0.71 SMN1; SMN2 (0.68) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US claimed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP claimed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US claimed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP claimed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 WO claimed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US disclosed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 US disclosed
US-20080207591-A1 Organic Compounds MANLEY PAUL W 2008-08-28 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 (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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 NPY5R 2451/4885PSMB5 3587/4885KDR 123/4885
US-20080207591-A1 Organic Compounds FLT4, FLT1, FLT3 NPY5R 3590/4885PSMB5 4653/4885KDR 7/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA NPY5R 3491/4885PSMB5 1669/4885KDR 3898/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 NPY5R 2828/4885PSMB5 4435/4885KDR 74/4885

“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.