SCHEMBL681844

SCHEMBL681844

OCc1cc2c(nc1Cl)CCC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 8/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CHRNE Q04844 1/20 0.35
ALOX15 P16050 1/20 0.35
PSMD14 O00487 1/20 0.34
NPC1 O15118 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7910272 0.74 SLC9A1 (0.48) SMN1; SMN2CYP2C19KDM4EALDH1A1MAPK1
SCHEMBL19049866 0.72 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL19454422 0.70 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL682462 0.70 POLB (0.51) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL29377191 0.70 POLB (0.51) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL25457814 0.69 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL12721711 0.69 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL10144361 0.69 PRNP (0.50) SMN1; SMN2KDM4EALDH1A1PRNPRXFP1
SCHEMBL681827 0.68 PIK3CD (0.48) SMN1; SMN2KDM4EALDH1A1RXFP1MAPK1
SCHEMBL16019318 0.68 SMN1; SMN2 (0.93) SMN1; SMN2KDM4EALDH1A1RXFP1MAPK1

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 SMN1; SMN2 2446/4885CYP2C19 2124/4885KDM4E 1473/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 SMN1; SMN2 2446/4885CYP2C19 2124/4885KDM4E 1473/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 SMN1; SMN2 2446/4885CYP2C19 2124/4885KDM4E 1473/4885

“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.