SCHEMBL6848345

SCHEMBL6848345

CSc1cc(C)nc2ccc(N)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
NQO2 P16083 4/20 0.50
NCF1 P14598 1/20 0.43
TERT O14746 4/20 0.43
KEAP1 Q14145 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL9724209 0.84 LMNA (0.59) LMNAKDM4EPOLBPKMPAX8
SCHEMBL3235863 0.78 NCF1 (0.63) LMNAKDM4EPOLBCASP6NQO2
SCHEMBL6846673 0.78 CYP1A2 (0.57) LMNAKDM4EPOLBCASP6NQO2
SCHEMBL6250314 0.77 KDM4E (0.64) LMNAKDM4EPOLBNQO2PKM
Hydrochloric Acid SCHEMBL30579056 0.77 NCF1 (0.61) LMNAKDM4EPOLBCASP6NQO2
SCHEMBL9724298 0.76 MAPT (0.40) LMNAKDM4EPOLBTERTATM
SCHEMBL3390039 0.75 NQO2 (0.53) LMNAKDM4EPOLBCASP6NQO2
SCHEMBL4073181 0.74 TERT (0.55) LMNAKDM4EPOLBCASP6NQO2
SCHEMBL6846717 0.73 KMT2A (0.52) LMNAPOLBPAX8MAPTHPGD
SCHEMBL5988872 0.72 NQO2 (0.66) LMNAKDM4EPOLBCASP6NQO2

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
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA LMNA 4001/4885KDM4E 1227/4885POLB 2588/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA LMNA 4001/4885KDM4E 1227/4885POLB 2588/4885

“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.