SCHEMBL2932798

SCHEMBL2932798

O=C(c1ccc(-c2cncc(-c3[nH]c4ccccc4c3OC(=O)C(F)(F)F)c2)cc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
JAK2 O60674 5/20 0.43
CYP11B2 P19099 1/20 0.43
FLT3 P36888 1/20 0.42
MAPK10 P53779 1/20 0.41
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
HDAC4 P56524 1/20 0.40
KDR P35968 1/20 0.40
RIPK1 Q13546 1/20 0.40
ERN1 O75460 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
TGFBR1 P36897 1/20 0.39
ATR Q13535 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
SCHEMBL4886439 0.90 POLB (0.45) KCNH2FLT3MAPK10HDAC4KDR
Trifluoroacetic Acid SCHEMBL2932794 0.76 RIPK1 (0.52) KCNH2JAK2CYP11B2HDAC4RIPK1
SCHEMBL2932743 0.75 PADI4 (0.43) CYP11B2
SCHEMBL2931442 0.74 RIPK1 (0.59) JAK2CYP11B2KDRRIPK1CCNC
SCHEMBL11992445 0.68 CYP11B2 (0.55) KCNH2JAK2CYP11B2CCNCCDK8
SCHEMBL8150805 0.66 HPGD (0.76)
SCHEMBL2927882 0.66 RIPK1 (0.55) JAK2KDRRIPK1TGFBR1ATR
SCHEMBL25653364 0.66 MKNK1 (0.71) RIPK1
Trifluoroacetic Acid SCHEMBL4886432 0.66 RIPK1 (0.52) KCNH2HDAC4KDRRIPK1CCNC
SCHEMBL13974272 0.65 MLYCD (0.67) KCNH2CYP11B2HDAC4CCNCCDK8

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 KCNH2 1056/4885JAK2 308/4885CYP11B2 510/4885

“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.