SCHEMBL3598517

SCHEMBL3598517

CC(=O)Nc1cccc(-c2[nH]c3cc(C(=O)O)ccc3c2C2CCCCC2)c1N.CC(=O)Nc1cccc(B(O)O)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 6/20 0.35
CDK2 P24941 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
BTK Q06187 2/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
LYN P07948 1/20 0.35
KIT P10721 1/20 0.35
TEC P42680 1/20 0.35
TXK P42681 1/20 0.35
BMX P51813 1/20 0.35
ITK Q08881 1/20 0.35
PARP1 P09874 1/20 0.34
KMO O15229 1/20 0.33
CCR3 P51677 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CREBBP Q92793 2/20 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
SCHEMBL3600913 0.85 PARP1 (0.43) PARP14CDK2CCNE2CCNE1BTK
SCHEMBL3242864 0.73 PARP1 (0.45) PARP1KMOCCR3PRKCAMMP12
SCHEMBL3594339 0.71 HPGD (0.39) PARP14CDK2CCNE2CCNE1PARP1
SCHEMBL1173816 0.71 PARP1 (0.52) PARP1KMO
SCHEMBL3361180 0.70 PARP1 (0.44) PARP1KMOCCR3PRKCAMMP12
SCHEMBL393756 0.69 PARP1 (0.51) PARP1DYRK1AALDH1A1HPGDMAPK1
SCHEMBL6076536 0.69 KDM4E (0.48) PARP1KMOCCR3DYRK1AALDH1A1
SCHEMBL5198654 0.68 PARP1 (0.52) PARP1ALDH1A1HPGD
SCHEMBL2276592 0.68 PARP1 (0.44) PARP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL3585917 0.68 ALDH1A1 (0.47) PARP14ALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PARP14 2458/4885CDK2 349/4885CCNE2 218/4885

“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.