SCHEMBL3590777

SCHEMBL3590777

O=C(O)c1cn(CCO)c2c1CCc1cnccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
TTK P33981 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CCNA2 P20248 6/20 0.40
CDK2 P24941 6/20 0.40
CCNA1 P78396 6/20 0.40
KDM4C Q9H3R0 7/20 0.33
KDM6B O15054 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL3600299 0.87 KDM4E (0.34) PIM1TTKPIM2CCNA2CDK2
SCHEMBL3596791 0.84 CCNA2 (0.41) CCNA2CDK2CCNA1KDM4CKDM6B
SCHEMBL3604016 0.78 MEN1 (0.40) CCNA2CDK2CCNA1KDM4CL3MBTL1
SCHEMBL3601640 0.78 CYP3A4 (0.38) TTKCCNA2CDK2CCNA1
SCHEMBL3597451 0.78 ROCK2 (0.40) PIM1TTKPIM2CCNA2CDK2
SCHEMBL3588427 0.72 KDM4E (0.40) PIM1TTKPIM2CCNA2CDK2
SCHEMBL6793189 0.71 CDK2 (0.35) CCNA2CDK2CCNA1NPSR1AAK1
SCHEMBL3594877 0.71 CCNA2 (0.41) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL3601278 0.70 ROCK2 (0.38) CCNA2CDK2CCNA1ROCK2
SCHEMBL29709976 0.69 PIM1 (0.65) PIM1TTKPIM2CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 PIM1 903/4885TTK 83/4885PIM2 996/4885

“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.