SCHEMBL860141

SCHEMBL860141

O=Cc1cnn2ccc(-c3cccc(C(=O)O)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.47
PIK3CD O00329 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
KMO O15229 2/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DDT P30046 1/20 0.40
UNG P13051 1/20 0.39
APEX1 P27695 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CAMK2D Q13557 1/20 0.38
KCNH2 Q12809 1/20 0.37
RET P07949 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A1 P68400 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
SCHEMBL12769034 0.86 ERN1 (0.51) ERN1PIK3CDALDH1A1CAMK2D
SCHEMBL860026 0.79 PIK3CG (0.52) POLBTDP1PIM1
SCHEMBL12978957 0.79 PIK3CG (0.52) POLBTDP1PIM1
SCHEMBL14679080 0.79 PIK3CD (0.39) PIK3CDCAMKK1CAMKK2KMOTDP1
SCHEMBL860025 0.79 PIK3CG (0.52) POLBTDP1PIM1
SCHEMBL859969 0.74 KDM4E (0.39) ERN1CAMKK1CAMKK2POLBKDM4E
SCHEMBL20202107 0.74 CAMKK1 (0.53) PIK3CDCAMKK1CAMKK2KDM4ECAMK2D
SCHEMBL3082758 0.72 UNG (0.38) ERN1PIK3CDPOLBTDP1L3MBTL1
SCHEMBL20190308 0.71 SCN5A (0.49) CAMKK1CAMKK2POLBL3MBTL1KDM4E
SCHEMBL3175273 0.70 KDM4E (0.55) CAMKK1CAMKK2KMOKDM4EALDH1A1

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-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2475652-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS Cylene Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 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 (2 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-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS PIM2, PIM1, PIM3 ERN1 834/4885PIK3CD 262/4885CAMKK1 101/4885
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 ERN1 693/4885PIK3CD 314/4885CAMKK1 126/4885

“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.