SCHEMBL3596664

SCHEMBL3596664

Cn1c(I)c(C(=O)O)c2c1-c1nc(N)ncc1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 14/20 0.40
CDK2 P24941 14/20 0.40
CCNA1 P78396 13/20 0.40
AURKA O14965 5/20 0.40
PLK1 P53350 4/20 0.40
TTK P33981 4/20 0.39
PLK3 Q9H4B4 2/20 0.39
PLK2 Q9NYY3 2/20 0.39
CDK4 P11802 2/20 0.39
CCND3 P30281 2/20 0.39
CDK6 Q00534 2/20 0.39
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36

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
SCHEMBL3593954 0.91 TTK (0.42) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3593089 0.85 CCNA2 (0.44) CCNA2CDK2CCNA1AURKATTK
SCHEMBL3596336 0.77 CCNA2 (0.47) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3595135 0.77 CCNA2 (0.46) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL31326954 0.77 CCNA2 (0.64) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL1893588 0.77 CCNA2 (0.64) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3589270 0.76 CCNA2 (0.55) CCNA2CDK2CCNA1
Potassium SCHEMBL1559783 0.76 CCNA2 (0.62) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL1559779 0.76 CCNA2 (0.62) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL12466225 0.75 CCNA2 (0.46) CCNA2CDK2CCNA1AURKATTK

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 CCNA2 75/4885CDK2 9/4885CCNA1 30/4885

“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.