SCHEMBL6848362

SCHEMBL6848362

O=C(Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1)c1cccc(CCc2cnc3[nH]cnc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2 Q05397 1/20 0.43
CSF1R P07333 2/20 0.43
SCN9A Q15858 1/20 0.43
EGFR P00533 1/20 0.41
BRAF P15056 1/20 0.41

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
Hydrochloric Acid SCHEMBL6846408 0.99 MAP3K20 (0.45) MAP3K20TAAR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6841217 0.88 MAPT (0.41) MAP3K20TAAR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6844782 0.84 PTK2 (0.49) MAP3K20TAAR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6846415 0.82 ABL1 (0.46) MAP3K20TAAR1MEN1MAPTKMT2A
SCHEMBL6844794 0.76 MAP3K20 (0.39) MAP3K20MEN1KMT2ASCN9A
SCHEMBL6844797 0.73 MET (0.39) MAP3K20MEN1KMT2A
SCHEMBL7015526 0.72 TAAR1 (0.45) MAP3K20TAAR1MAPTPTK2CSF1R
SCHEMBL6841246 0.71 TP53 (0.47) TAAR1MAPTCSF1R
SCHEMBL6846756 0.71 MTOR (0.48) TAAR1MAPTCSF1R
SCHEMBL6845411 0.69 TAAR1 (0.49) MAP3K20TAAR1MAPTBRAF

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 MAP3K20 4/4885TAAR1 3516/4885MEN1 4396/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAP3K20 4/4885TAAR1 3516/4885MEN1 4396/4885

“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.