SCHEMBL5952775

SCHEMBL5952775

CCOc1cc2[nH]c(-c3n[nH]cc3NC(=O)C3CCNCC3)nc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
ITK Q08881 1/20 0.45
RECQL P46063 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
PDPK1 O15530 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PARP1 P09874 2/20 0.34
DHODH Q02127 1/20 0.34
DGAT1 O75907 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TP53 P04637 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL13373930 0.95 SYK (0.47) SYKITKRECQLMAPTPOLB
SCHEMBL13373484 0.91 SYK (0.44) SYKITKRECQLMAPTPOLB
SCHEMBL5953343 0.84 RECQL (0.44) SYKITKRECQLMAPTPOLB
SCHEMBL13373932 0.82 SYK (0.66) SYKITKMAPTPOLBEGLN1
SCHEMBL6684006 0.81 PDPK1 (0.43) MAPTPOLBALDH1A1KDM4EJAK2
SCHEMBL13373931 0.81 SYK (0.45) SYKITKMAPTPOLBEGLN1
SCHEMBL5952616 0.79 SYK (0.44) SYKITKMAPTPOLBEGLN1
SCHEMBL5951302 0.79 ALDH1A1 (0.39) SYKITKRECQLMAPTPOLB
SCHEMBL13373906 0.79 ABL1 (0.49) RECQLMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL13375232 0.79 PDPK1 (0.39) MAPTALDH1A1SMN1; SMN2KDM4EJAK2

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 SYK 338/4885ITK 979/4885RECQL 3024/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A SYK 435/4885ITK 1317/4885RECQL 3369/4885

“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.