SCHEMBL741977

SCHEMBL741977

O=C(O)c1cnn2ccn(NC3CCCCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
OPRK1 P41145 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 3/20 0.34
HPGD P15428 1/20 0.34
HCAR3 P49019 1/20 0.34
TSHR P16473 1/20 0.33
MAPK8 P45983 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
SCHEMBL9298907 0.70 KDM4E (0.37) ALDH1A1KDM4EGAAPOLBTSHR
SCHEMBL15428673 0.68 IRAK4 (0.68) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL15428591 0.67 IRAK4 (0.66) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL18754643 0.63 KDM4E (0.66) IRAK4ALDH1A1KDM4EGAANPC1
SCHEMBL18757492 0.63 KDM4E (0.66) IRAK4ALDH1A1KDM4EGAANPC1
SCHEMBL18732210 0.63 KDM4E (0.66) IRAK4ALDH1A1KDM4EGAANPC1
SCHEMBL21689538 0.63 KDM4E (0.66) IRAK4ALDH1A1KDM4EGAANPC1
SCHEMBL18399539 0.62 CAMKK1 (0.56) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL21158408 0.62 CAMKK1 (0.56) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL15882989 0.62 CAMKK1 (0.56) JAK2JAK1TYK2JAK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 JAK2 748/4885JAK1 446/4885TYK2 1357/4885

“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.