SCHEMBL3175847

SCHEMBL3175847

O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3ccncc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.63
HTR2A P28223 10/20 0.63
BRAF P15056 4/20 0.61
KDR P35968 3/20 0.61
MAPK14 Q16539 2/20 0.61
TNNI3K Q59H18 2/20 0.61
HTR2B P41595 5/20 0.52
RIPK1 Q13546 1/20 0.52
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 3/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL13528800 0.94 BRAF (0.59) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL14553225 0.89 HTR2A (0.57) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL14476382 0.87 HTR2A (0.55) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL6071951 0.86 KDR (0.67) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL12972303 0.83 KDR (0.61) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL2778523 0.83 RIPK1 (0.54) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL11982636 0.83 HTR2A (0.50) HTR2CHTR2ABRAFKDRHTR2B
SCHEMBL14476110 0.83 HTR2A (0.50) HTR2CHTR2ABRAFKDRMAPK14
SCHEMBL2481583 0.81 HTR2A (0.64) HTR2CHTR2AHTR2BRIPK1LMNA
SCHEMBL6072499 0.81 KDR (0.52) HTR2CHTR2ABRAFKDRMAPK14

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 13 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-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US disclosed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20080207591-A1 Organic Compounds MANLEY PAUL W 2008-08-28 US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 HTR2C 2460/4885HTR2A 2972/4885BRAF 17/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 HTR2C 2460/4885HTR2A 2972/4885BRAF 17/4885
US-20080207591-A1 Organic Compounds FLT4, FLT1, FLT3 HTR2C 1633/4885HTR2A 2242/4885BRAF 112/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA HTR2C 4531/4885HTR2A 4403/4885BRAF 284/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 HTR2C 1738/4885HTR2A 2740/4885BRAF 21/4885

“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.