SCHEMBL3594684

SCHEMBL3594684

O=Cc1c[nH]c2c1ccc1cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.56
CDK9 P50750 2/20 0.56
HASPIN Q8TF76 2/20 0.56
PIM1 P11309 7/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
ROCK2 O75116 1/20 0.54
CHEK2 O96017 1/20 0.54
CDK1 P06493 1/20 0.54
FGFR1 P11362 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT1 P31749 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
CSNK1D P48730 1/20 0.54

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
SCHEMBL14519078 0.76 PIM3 (0.65) PIM1TRIM24TRIM33KMT2APIM3
SCHEMBL13852619 0.76 PIM3 (0.61) PIM1CSNK2A1TRIM24TRIM33KMT2A
SCHEMBL29664462 0.76 CCNT1 (0.62) CCNT1CDK9HASPINCDK2GSK3B
SCHEMBL29683022 0.76 PIM3 (0.61) PIM1CSNK2A1TRIM24TRIM33KMT2A
SCHEMBL2268299 0.76 CCNT1 (0.62) CCNT1CDK9HASPINCDK2GSK3B
Hydrochloric Acid SCHEMBL3831446 0.75 CCNT1 (0.60) CCNT1CDK9HASPINCDK2GSK3B
SCHEMBL3642567 0.74 CSNK2A1 (0.54) HASPINPIM1AURKADAPK3JAK2
SCHEMBL2263957 0.73 CCNT1 (0.62) CCNT1CDK9HASPINGSK3BDYRK1A
SCHEMBL5438006 0.72 TET2 (0.56) PIM1ERN1TRIM24TRIM33KMT2A
SCHEMBL14012886 0.71 ERN1 (0.51) CCNT1CDK9HASPINGSK3BCDK5

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 5 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 claimed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US claimed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US claimed
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 CCNT1 55/4885CDK9 50/4885HASPIN 514/4885

“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.