SCHEMBL215595

SCHEMBL215595

Cc1cccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
RECQL P46063 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL214714 0.93 MAPT (0.44) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL214450 0.91 LMNA (0.54) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL213503 0.87 STK33 (0.39) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL217226 0.87 MEN1 (0.48) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL215644 0.87 KDM4E (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL216491 0.86 NTRK1 (0.47) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL214872 0.86 MAPT (0.42) ALDH1A1NPSR1MAPTKMT2ANPC1
SCHEMBL214646 0.85 EPHB3 (0.44) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL216732 0.85 GSK3B (0.40) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL214272 0.85 KDM4E (0.39) ALDH1A1NPSR1HTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885NPSR1 4218/4885HTT 1059/4885

“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.