SCHEMBL5952993

SCHEMBL5952993

Nc1c[nH]nc1-c1nc2cc(OC(F)F)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 2/20 0.35
HPSE Q9Y251 1/20 0.33
CBFB Q13951 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
RUNX1 Q01196 2/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL5951426 0.85 CBFB (0.47) NPC1RAB9APKMCBFBCYP1A2
SCHEMBL5952765 0.83 NPC1 (0.48) FGFR1NPC1RAB9APKMCYP1A2
SCHEMBL30061152 0.80 SMN1; SMN2 (0.38) FGFR1NPC1RAB9ACBFBSMN1; SMN2
SCHEMBL28498751 0.80 SMN1; SMN2 (0.38) FGFR1NPC1RAB9ACBFBSMN1; SMN2
SCHEMBL5952258 0.80 MAPT (0.47) NPC1RAB9ACBFBCYP3A4SMN1; SMN2
SCHEMBL5953294 0.78 SYK (0.40) FGFR1NPC1RAB9APKMRUNX1
SCHEMBL28500913 0.78 RAB9A (0.45) FGFR1NPC1RAB9APKMCBFB
SCHEMBL30061331 0.78 RAB9A (0.45) FGFR1NPC1RAB9APKMCBFB
SCHEMBL5951395 0.78 ALDH1A1 (0.40) FGFR1NPC1RAB9ACBFBCYP3A4
SCHEMBL5951708 0.77 NPBWR1 (0.45) CBFB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 FGFR1 583/4885NPC1 3302/4885RAB9A 810/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885NPC1 2551/4885RAB9A 955/4885

“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.