SCHEMBL213519

SCHEMBL213519

COc1cccc(CN(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
QPCT Q16769 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NTRK1 P04629 1/20 0.39
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
MAPK10 P53779 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL213852 0.90 POLB (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL213971 0.87 PAX8 (0.43) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL216365 0.84 POLB (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL215700 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL216144 0.83 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL213584 0.80 CYP1A2 (0.38) LMNAALDH1A1HTTPOLBHPGD
SCHEMBL216562 0.79 POLB (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL215003 0.79 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL213720 0.78 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL213394 0.78 POLB (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 MEN1 3504/4885KMT2A 437/4885SMN1; SMN2 2516/4885

“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.