SCHEMBL15560235

SCHEMBL15560235

OC1C=C(c2ncc[nH]2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
NISCH Q9Y2I1 2/20 0.43
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 3/20 0.35
ADRA1A P35348 6/20 0.35
KDM4E B2RXH2 2/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CASP6 P55212 1/20 0.32
F2RL1 P55085 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL15554822 0.72 KDM4E (0.43) ALDH1A1KMT2AADRA1AKDM4E
SCHEMBL16819647 0.72 AURKA (0.31)
SCHEMBL9287236 0.71 NISCH (0.64) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL15559746 0.70
SCHEMBL768219 0.70 NISCH (0.41) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL14886257 0.69 NISCH (0.61) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL28007032 0.69 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL16819654 0.69 ADRA1A (0.41) ADRA2AADRA1AADRA1DADRA1B
SCHEMBL15555150 0.69 PDPK1 (0.43) MTORALDH1A1MEN1KMT2AADRA2A
SCHEMBL15560455 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864290-B1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LTD (IE) 2017-06-14 EP disclosed
US-9422309-B2 3-O-heteroaryl-ingenol LEO LABORATORIES LIMITED (IE) 2016-08-23 US disclosed
US-20150175622-A1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2015-06-25 US disclosed
EP-2864290-A2 3-O-HETEROARYL-INGENOL Leo Laboratories Limited (IE) 2015-04-29 EP disclosed
WO-2014001215-A2 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2014-01-03 WO 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-20150175622-A1 3-O-HETEROARYL-INGENOL VDR, RXRA, PPARG CSNK1A1 1415/4885TYRO3 3436/4885DYRK1B 1392/4885

“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.