SCHEMBL6846673

SCHEMBL6846673

Cc1cc(C)c2cc(N)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
NQO2 P16083 4/20 0.55
POLB P06746 4/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 4/20 0.55
CASP6 P55212 1/20 0.55
NCF1 P14598 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
TERT O14746 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3235863 0.84 NCF1 (0.63) NQO2POLBKDM4ELMNACASP6
SCHEMBL6639402 0.84 POLB (0.61) CYP1A2NQO2POLBKDM4ELMNA
Hydrochloric Acid SCHEMBL30579056 0.82 NCF1 (0.61) NQO2POLBKDM4ELMNACASP6
SCHEMBL3390039 0.81 NQO2 (0.53) CYP1A2NQO2POLBKDM4ELMNA
SCHEMBL5910832 0.81 KDM4E (0.62) NQO2POLBKDM4ELMNACASP6
SCHEMBL5349570 0.81 TSHR (0.44) NQO2POLBKDM4ELMNACASP6
SCHEMBL4073181 0.79 TERT (0.55) CYP1A2NQO2POLBKDM4ELMNA
SCHEMBL3531515 0.79 LMNA (0.66) CYP1A2NQO2POLBKDM4ELMNA
SCHEMBL6848345 0.78 LMNA (0.53) CYP1A2NQO2POLBKDM4ELMNA
SCHEMBL19689667 0.78 LMNA (0.45) CYP1A2NQO2POLBKDM4ELMNA

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 CYP1A2 4207/4885NQO2 996/4885POLB 2588/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYP1A2 4207/4885NQO2 996/4885POLB 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.