SCHEMBL5131872

SCHEMBL5131872

Cc1cc(NC(=O)Nc2ccc(Cl)c(OC(C)(C)CN)c2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.56
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
GALR3 O60755 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.44
GUSB P08236 1/20 0.44
MAPT P10636 1/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
OPRK1 P41145 1/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL5132193 0.87 LMNA (0.51) IGF1RHTTKMT2ASMN1; SMN2KDM4E
SCHEMBL4632716 0.80 IGF1R (0.56) IGF1RHTTMEN1KMT2AHTR2C
SCHEMBL6334528 0.79 LMNA (0.51) IGF1RHTTKMT2ASMN1; SMN2KDM4E
SCHEMBL6588400 0.78 IGF1R (0.66) IGF1RHTTMEN1KMT2AHTR2C
SCHEMBL6588862 0.76 IGF1R (0.77) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6586520 0.75 IGF1R (0.79) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL4855474 0.74 HTT (0.75) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL7690789 0.74 IGF1R (0.67) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6334663 0.74 IGF1R (0.50) IGF1RHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7686561 0.74 IGF1R (0.67) IGF1RHTTMEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 IGF1R 2956/4885HTT 1829/4885MEN1 2624/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 IGF1R 2956/4885HTT 1829/4885MEN1 2624/4885

“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.