SCHEMBL2370197

SCHEMBL2370197

O=C1C2CCC(CC2)N1c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.44
EP300 Q09472 1/20 0.44
KAT2B Q92831 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 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
SCHEMBL2370523 0.73 MEN1 (0.44) ALDH1A1MAPTGAACYP2C9CYP2C19
SCHEMBL2370284 0.72 USP2 (0.42) ALDH1A1KDM4EEP300KAT2BSMN1; SMN2
SCHEMBL16480456 0.69 CD274 (0.45) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL15552923 0.69 SMN1; SMN2 (0.45) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL14171817 0.68 ALDH1A1 (0.43) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL1721130 0.68 OPRM1 (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL1721397 0.68 OPRM1 (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL1721395 0.68 OPRM1 (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL1721132 0.68 OPRM1 (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL1721127 0.68 OPRM1 (0.46) ALDH1A1MAPTGAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 ALDH1A1 2914/4885MAPT 1266/4885HTT 3458/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 ALDH1A1 2914/4885MAPT 1266/4885HTT 3458/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 ALDH1A1 2914/4885MAPT 1266/4885HTT 3458/4885

“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.