SCHEMBL214774

SCHEMBL214774

CN(Cc1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 5/20 0.34
OPRK1 P41145 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK2 O96017 2/20 0.34
SYK P43405 2/20 0.34
LRRK2 Q5S007 2/20 0.34
TSSK3 Q96PN8 2/20 0.34
TP53 P04637 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
BACE1 P56817 1/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL212933 0.87 PAX8 (0.38) PAX8KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL214873 0.85 LMNA (0.39) PAX8KMT2AALDH1A1LMNAMAPT
SCHEMBL215044 0.82 POLB (0.37) PAX8KMT2AALDH1A1LMNAMAPT
SCHEMBL215728 0.81 POLB (0.35) PAX8KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL214165 0.81 POLB (0.36) ALDH1A1LMNASMN1; SMN2KDM4EPOLB
SCHEMBL215116 0.80 MEN1 (0.43) PAX8KMT2AMEN1ALDH1A1LMNA
SCHEMBL214647 0.79 POLB (0.38) PAX8ALDH1A1LMNAMAPTKDM4E
SCHEMBL214715 0.79 POLB (0.40) PAX8KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL215369 0.78 POLB (0.41) PAX8KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL214451 0.77 POLB (0.37) PAX8KMT2AALDH1A1LMNASMN1; SMN2

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 PAX8 4790/4885KMT2A 437/4885MEN1 3504/4885

“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.