SCHEMBL682075

SCHEMBL682075

OCc1cc2ccccc2nc1N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 5/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
TDP1 Q9NUW8 4/20 0.61
MAPT P10636 5/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
GFER P55789 1/20 0.56
HPGD P15428 5/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
BLM P54132 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
ATM Q13315 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL681990 0.84 KDM4E (0.57) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL13425073 0.84 KDM4E (0.57) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL718208 0.77 L3MBTL1 (0.60) KDM4EALDH1A1L3MBTL1TDP1TSHR
SCHEMBL27947591 0.75 KDM4E (0.97) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL30762475 0.74 KDM4E (0.62) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL14259051 0.74 KDM4E (0.62) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL4574456 0.74 KDM4E (0.60) KDM4EALDH1A1L3MBTL1TDP1MAPT
Hydrochloric Acid SCHEMBL5141053 0.73 KDM4E (0.61) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL22279218 0.73 SCN10A (0.56) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL18001806 0.72 KMT2A (0.61) KDM4EALDH1A1L3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
WO-2010036380-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2010-04-01 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 (3 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 KDM4E 1473/4885ALDH1A1 3979/4885L3MBTL1 1996/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 KDM4E 1473/4885ALDH1A1 3979/4885L3MBTL1 1996/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 KDM4E 1473/4885ALDH1A1 3979/4885L3MBTL1 1996/4885

“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.