SCHEMBL2177953

SCHEMBL2177953

c1nnc(N2CCCCC2)c2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2180672 0.69 MEN1 (0.49) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL2176989 0.67 LARS1 (0.32) PKM
SCHEMBL1268259 0.62 KMT2A (0.67) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL13239004 0.62 ADRB1 (0.71) ALDH1A1MAPK1LMNAADRB1
SCHEMBL22440038 0.60 KMT2A (0.69) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL29648045 0.60 KMT2A (0.69) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL9029488 0.60 HPGD (0.45) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL23949293 0.57 CHRM3 (0.41) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL5755979 0.57 KDM4E (0.41) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL3084564 0.57 HPGD (0.47) ALDH1A1TSHRHPGDSMN1; SMN2NPC1

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
US-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US disclosed
EP-2519526-B1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
EP-2519526-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-11-07 EP disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 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-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors PIM1, PIM2, PIM3 ALDH1A1 2337/4885TSHR 1160/4885HPGD 3706/4885

“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.