SCHEMBL14224909

SCHEMBL14224909

COc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1NC(=O)CN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
WNT3A P56704 10/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD52 P43351 1/20 0.43
GFER P55789 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14224910 0.94 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL16404010 0.90 POLB (0.55) POLBALDH1A1WNT3AKMT2AMAPT
SCHEMBL14318345 0.90 POLB (0.49) POLBKDM4EALDH1A1WNT3AKMT2A
SCHEMBL14224933 0.89 NPC1 (0.48) POLBKMT2AMAPTSMN1; SMN2ATP4A
SCHEMBL14684782 0.88 ATP4A (0.46) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14315467 0.86 MGLL (0.51) POLBKDM4EALDH1A1KMT2AMAPT
SCHEMBL14318346 0.86 RAD52 (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL14318378 0.85 MGLL (0.50) POLBKDM4EALDH1A1KMT2AMAPT
SCHEMBL14224960 0.85 ATP4A (0.44) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL14150274 0.84 JAK3 (0.51) POLBKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 WO disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 POLB 1554/4885KDM4E 2080/4885ALDH1A1 4672/4885

“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.