SCHEMBL6844715

SCHEMBL6844715

Cc1cc(NC(=O)c2cc(Br)ccc2F)ccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSP90AA1 P07900 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.51
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LCLAT1 Q6UWP7 1/20 0.44
SORT1 Q99523 3/20 0.43
STAT3 P40763 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
TP53 P04637 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
SCHEMBL16928625 0.75 RAB9A (0.53) RAB9AMAPTALDH1A1GAAKDM4E
SCHEMBL16448829 0.74 KMT2A (0.57) RAB9AMAPTALDH1A1GAANPC1
SCHEMBL24669477 0.74 RAB9A (0.53) RAB9AMAPTALDH1A1GAAPOLB
SCHEMBL4968741 0.72 RAB9A (0.45) RAB9AMAPTALDH1A1GAAKDM4E
SCHEMBL25226774 0.72 HSPD1 (0.65) RAB9AMAPTALDH1A1GAANPSR1
SCHEMBL14199943 0.72 GAA (0.56) RAB9AMAPTALDH1A1GAAKDM4E
SCHEMBL29803598 0.72 RAB9A (0.62) RAB9AMAPTALDH1A1POLBNPC1
SCHEMBL5490431 0.72 RAB9A (0.66) RAB9AMAPTALDH1A1GAAKDM4E
SCHEMBL25900637 0.70 KMT2A (0.53) RAB9AMAPTALDH1A1GAAKDM4E
SCHEMBL2671322 0.70 GAA (0.56) RAB9AMAPTALDH1A1GAANPC1

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 RAB9A 1183/4885MAPT 899/4885ALDH1A1 3632/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885MAPT 899/4885ALDH1A1 3632/4885

“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.