SCHEMBL6841240

SCHEMBL6841240

O=C(NNc1ccccc1)c1cccc(OCc2cncc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
SMPD1 P17405 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
GFER P55789 1/20 0.45
GCK P35557 1/20 0.44
PTGS2 P35354 1/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT3 Q9NTG7 3/20 0.43
SIRT1 Q96EB6 2/20 0.43
GPR132 Q9UNW8 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL6846623 0.89 GPR132 (0.45) MEN1KMT2APOLBGAAMAPT
SCHEMBL6846744 0.85 NR4A2 (0.57) KMT2ANR1H4GCKGPBAR1CYSLTR1
Hydrochloric Acid SCHEMBL6841319 0.84 NR4A2 (0.56) KMT2AGCKGPBAR1CYSLTR1NPC1
SCHEMBL6846891 0.83 SMPD1 (0.52) MEN1KMT2ANR1H4SMPD1GPR132
SCHEMBL6841241 0.83 CYSLTR1 (0.43) MEN1KMT2APOLBSMPD1GCK
SCHEMBL6848196 0.82 CYSLTR1 (0.58) MEN1KMT2ANR1H4KDM4EGPBAR1
SCHEMBL6846907 0.81 BRAF (0.49) MEN1KMT2APOLBNR1H4SIRT2
SCHEMBL6845358 0.80 NPC1 (0.47) MEN1KMT2APOLBNR1H4ALDH1A1
SCHEMBL6846538 0.79 ATM (0.48) MEN1KMT2APOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL6845436 0.79 ATM (0.47) MEN1KMT2APOLBALDH1A1LMNA

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 7 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 claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
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
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 (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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MEN1 4396/4885KMT2A 3246/4885POLB 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.