SCHEMBL6071399

SCHEMBL6071399

c1ccc(CNc2ccc3nccc(NC4CCCC4)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.52
KMT5C Q86Y97 2/20 0.52
IP6K1 Q92551 1/20 0.48
DHFR P00374 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
CCNC P24863 4/20 0.43
CDK8 P49336 4/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL5948265 0.85 LRRK2 (0.47) KMT5BKMT5CLMNACYP1A2CYP2D6
SCHEMBL27728186 0.76 SRC (0.61) IP6K1DYRK1ADYRK1B
SCHEMBL30307410 0.74 KMT5B (0.62) KMT5BKMT5CLMNACYP2D6SMN1; SMN2
SCHEMBL27896914 0.72 HTT (0.53) LMNACYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL9073082 0.72 KMT5B (0.62) KMT5BKMT5CIP6K1CYP2D6SMN1; SMN2
SCHEMBL17241563 0.71 KMT5B (0.59) KMT5BKMT5CCYP2D6CCNCCDK8
SCHEMBL6071484 0.70 HRH3 (0.57) LMNAHTTACHENSD2ROCK2
Bromide SCHEMBL9070504 0.70 KMT5B (0.59) KMT5BKMT5CIP6K1CYP2D6SMN1; SMN2
SCHEMBL6598616 0.70 EGFR (0.63) PKMLMNAHTTSMN1; SMN2CCNC
SCHEMBL29337531 0.70 HTR1A (0.68) PKMLMNAHTTSMN1; SMN2CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 KMT5B 1577/4885KMT5C 2048/4885IP6K1 203/4885

“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.