SCHEMBL2337017

SCHEMBL2337017

O=CN1CCNCC1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TRPA1 O75762 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
HTR2C P28335 5/20 0.35
HTR2B P41595 4/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL31581033 0.86 HTR3A (0.44) MAPTHTR2CHTR2BHTR2A
SCHEMBL14831356 0.85 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL5553500 0.85 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL29138927 0.85 HTR2C (0.43) HTR2CHTR2BHTR2AHTR6MAOB
SCHEMBL29138915 0.85 HTR2C (0.43) HTR2CHTR2BHTR2AHTR6MAOB
SCHEMBL29138924 0.85 HTR2C (0.43) HTR2CHTR2BHTR2AHTR6MAOB
Hydrochloric Acid SCHEMBL15173335 0.84 HTR2C (0.41) MAPTHTR2CHTR2BHTR2A
SCHEMBL10913407 0.84 DPP4 (0.38) DPP4DPP7TRPA1ATMHTR2C
SCHEMBL19066025 0.82 MAOA (0.44) KDM4EALDH1A1MAPTHTR2CHTR2B
SCHEMBL2336871 0.82 RIPK1 (0.40) HTR2CHTR2BHTR2AHTR6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
JP-2008521903-A 2008-06-26 JP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP disclosed
US-7419995-B2 N-substituted benzimidazoyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO disclosed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US 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 (1 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-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K DPP4 3826/4885DPP7 2974/4885TRPA1 3435/4885

“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.