SCHEMBL13745844

SCHEMBL13745844

Cn1cc(C#N)c2cc(Br)cnc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
IMPDH2 P12268 4/20 0.40
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 1/20 0.39
KDR P35968 1/20 0.39
CHEK1 O14757 1/20 0.37
PDK1 Q15118 5/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
EGFR P00533 2/20 0.33
ERBB2 P04626 1/20 0.33
ELANE P08246 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL12616604 0.82 IMPDH2 (0.41) IMPDH2ABL1KDRELANESMN1; SMN2
SCHEMBL29026945 0.81 IMPDH2 (0.40) IMPDH2ABL1KDRELANESMN1; SMN2
SCHEMBL21069209 0.80 SMN1; SMN2 (0.35) HSD17B10ABL1KDRCHEK1ELANE
SCHEMBL29086594 0.78 ELANE (0.59) CHEK1ELANESMN1; SMN2GAA
SCHEMBL29890000 0.78 ELANE (0.59) CHEK1ELANESMN1; SMN2GAA
SCHEMBL14884084 0.76 HSD17B10 (0.43) GSK3BHSD17B10ABL1KDRCHEK1
SCHEMBL15257723 0.75 LRRK2 (0.48)
SCHEMBL29026900 0.75 GAA (0.43) IMPDH2EGFRERBB2GAA
SCHEMBL8511931 0.75 CHEK1 (0.33) HSD17B10ABL1KDRCHEK1
SCHEMBL20610577 0.75 HSD17B10 (0.42) GSK3BHSD17B10ABL1KDRCHEK1

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-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 GSK3B 227/4885IMPDH2 4142/4885HSD17B10 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.