SCHEMBL3598556

SCHEMBL3598556

Cn1c(C(N)=O)cc2ccc3[nH]ncc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.44
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
GRK2 P25098 1/20 0.40
WEE1 P30291 2/20 0.39
PKMYT1 Q99640 2/20 0.39
AR P10275 2/20 0.39
PIM1 P11309 1/20 0.38
BTK Q06187 5/20 0.37
LYN P07948 2/20 0.37
TXK P42681 1/20 0.37
SYK P43405 1/20 0.37
RIPK2 O43353 2/20 0.37
LCK P06239 2/20 0.37
CYP3A4 P08684 1/20 0.36
TEC P42680 2/20 0.36
BMX P51813 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HCK P08631 1/20 0.35

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
SCHEMBL3594601 0.88 MCL1 (0.41) CDK2CCNA2CCNA1ROCK2ROCK1
SCHEMBL3591042 0.85 L3MBTL1 (0.44) CDK2LCKROCK2ROCK1CCNE1
SCHEMBL3604928 0.74 KDM4E (0.37) CDK2CCNA2CCNA1LCKROCK2
SCHEMBL3596935 0.72 CCNA2 (0.46) CDK2CCNA2CCNA1GRK2WEE1
SCHEMBL5224979 0.71 CCNA2 (0.48) CDK2CCNA2CCNA1GRK2WEE1
SCHEMBL3603999 0.71 CDK2 (0.34) CDK2CCNA2CCNA1CYP3A4CCNE1
SCHEMBL15730197 0.67 NOS1 (0.41) CDK2ROCK2ROCK1CCNE1
SCHEMBL10653112 0.67 TLR9 (0.39)
SCHEMBL28270464 0.67 SIRT2 (0.37) RIPK2ROCK2
SCHEMBL15005586 0.67 CDK2 (0.40) CDK2CCNA2CCNA1GRK2WEE1

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 CDK2 9/4885CCNA2 75/4885CCNA1 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.