SCHEMBL806103

SCHEMBL806103

COC(=O)c1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.78
MAPT P10636 4/20 0.60
TP53 P04637 3/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRB2 P07550 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KLK7 P49862 1/20 0.53
KLK14 Q9P0G3 1/20 0.53

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
SCHEMBL806125 0.89 KDR (0.72) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL788057 0.88 KDR (0.77) KDRMAPTTP53MEN1KMT2A
SCHEMBL806102 0.88 KDR (0.68) KDRMAPTTP53MEN1KMT2A
SCHEMBL788175 0.88 KDR (0.78) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL31060122 0.88 KDR (1.00) KDRMAPTTP53MEN1KMT2A
SCHEMBL15077148 0.87 KDR (0.81) KDRMAPTTP53MEN1KMT2A
SCHEMBL806036 0.87 KDR (0.67) KDRMAPTTP53MEN1KMT2A
SCHEMBL788156 0.87 KDR (0.67) KDRMAPTTP53MEN1KMT2A
SCHEMBL806072 0.87 KDR (0.71) KDRMAPTTP53MEN1KMT2A
SCHEMBL794208 0.86 KDR (0.79) KDRMAPTTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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 (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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 KDR 1782/4885MAPT 2899/4885TP53 2075/4885

“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.