SCHEMBL215116

SCHEMBL215116

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK2 O96017 2/20 0.41
SYK P43405 2/20 0.41
LRRK2 Q5S007 2/20 0.41
TSSK3 Q96PN8 2/20 0.41
USP30 Q70CQ3 1/20 0.41
PAX8 Q06710 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
FAAH O00519 1/20 0.35
OPRK1 P41145 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL215770 0.91 USP30 (0.38) MEN1KMT2ACHEK2SYKLRRK2
SCHEMBL213808 0.87 CHEK2 (0.38) MEN1KMT2ACHEK2SYKLRRK2
SCHEMBL213907 0.84 NPC1 (0.41) MEN1KMT2ACHEK2SYKLRRK2
SCHEMBL214774 0.80 PAX8 (0.39) MEN1KMT2ACHEK2SYKLRRK2
SCHEMBL213971 0.76 PAX8 (0.43) KMT2APAX8NPC1RAB9ASMN1; SMN2
SCHEMBL216070 0.76 POLB (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL214647 0.75 POLB (0.38) CHEK2PAX8NPC1RAB9APOLB
SCHEMBL215133 0.75 POLB (0.38) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL214715 0.75 POLB (0.40) KMT2APAX8NPC1RAB9ASMN1; SMN2
SCHEMBL214977 0.75 POLB (0.38) NPC1RAB9ASMN1; SMN2POLBKDM4E

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 437/4885CHEK2 412/4885

“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.