SCHEMBL3462235

SCHEMBL3462235

NC(=O)c1nccnc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.42
CDC7 O00311 1/20 0.41
ADORA2A P29274 2/20 0.40
PARP10 Q53GL7 1/20 0.40
LIMK2 P53671 1/20 0.40
MEN1 O00255 1/20 0.39
ATR Q13535 1/20 0.39
SMO Q99835 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR3C2 P08235 1/20 0.39

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
SCHEMBL28105262 0.86 SRD5A2 (0.51) PLA2G10PLA2G2APARP10
SCHEMBL3462423 0.86 CYP17A1 (0.51) CDC7MAPTTSHRKDM4EADORA3
SCHEMBL16598255 0.83 RECQL (0.50) RECQLKDM4E
SCHEMBL3462624 0.81 CHEK2 (0.44)
SCHEMBL28492022 0.79 KDM4E (0.47) PLA2G10PLA2G2ACDC7LIMK2ALDH1A1
SCHEMBL2306128 0.79 SYK (0.48) PLA2G10PLA2G2ALMNACDC7ALDH1A1
SCHEMBL30006999 0.79 KDM4E (0.47) PLA2G10PLA2G2ACDC7LIMK2ALDH1A1
SCHEMBL8781507 0.78 CALM1 (0.55) KMT2ALMNALIMK2ALDH1A1HPGD
SCHEMBL28105711 0.78 GPR52 (0.46) NPSR1KDM4E
SCHEMBL16598057 0.77 ADORA3 (0.39) KMT2ARECQLTSHRADORA3

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PLA2G10 4057/4885PLA2G2A 2200/4885KMT2A 1273/4885

“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.