SCHEMBL3603816

SCHEMBL3603816

COC(=O)c1cn(CCOC2CCCCO2)c2c1CCc1cnccc1-2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
P2RX3 P56373 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 1/20 0.33
ROCK2 O75116 2/20 0.33
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP11B2 P19099 1/20 0.31

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
SCHEMBL3604016 0.91 MEN1 (0.40) PLK1MEN1KMT2ACCNA2CDK2
SCHEMBL3601843 0.80 ROCK2 (0.35) CCNA2CDK2CCNA1NAMPTROCK2
SCHEMBL3601841 0.80 ROCK2 (0.35) CCNA2CDK2CCNA1NAMPTROCK2
SCHEMBL3594877 0.77 CCNA2 (0.41) CCNA2CDK2CCNA1ROCK2CYP11B2
SCHEMBL3588427 0.76 KDM4E (0.40) PLK1CCNA2CDK2CCNA1ROCK2
SCHEMBL5824115 0.72 NPC1 (0.41) PLK1P2RX3MEN1KMT2AICAM1
SCHEMBL23216255 0.69 KMT2A (0.47) PLK1P2RX3MEN1KMT2ANPC1
SCHEMBL20565389 0.69 MEN1 (0.43) P2RX3MEN1KMT2ACDK2NPC1
SCHEMBL3590777 0.68 PIM1 (0.43) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL1586641 0.68 L3MBTL1 (0.41) MEN1KMT2AEP300CREBBP

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 PLK1 17/4885P2RX3 3539/4885MEN1 1222/4885

“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.