SCHEMBL2965274

SCHEMBL2965274

Cn1ncc2c(c1=O)N(Cc1ccccc1)C(N1CCNCC1)N2OC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.33
RIPK1 Q13546 3/20 0.33
KAT2B Q92831 5/20 0.33
HTR2C P28335 3/20 0.32
ADRB2 P07550 2/20 0.32
DRD2 P14416 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2A P28223 2/20 0.32
ADRA1B P35368 2/20 0.32
DRD3 P35462 2/20 0.32
HTR2B P41595 2/20 0.32
HTR6 P50406 2/20 0.32
MRGPRX1 Q96LB2 2/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PFKFB3 Q16875 1/20 0.31

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
SCHEMBL2962537 0.89 PFKFB3 (0.37) HTR2CADRB2DRD2HTR1DHTR1B
SCHEMBL2958559 0.89 ALDH1A1 (0.35) HTR2CADRB2DRD2HTR1DHTR1B
SCHEMBL2959531 0.86 NPC1 (0.36) HTR2CADRB2DRD2HTR1DHTR1B
SCHEMBL2952472 0.86 DRD2 (0.35) HTR2CADRB2DRD2HTR1DHTR1B
SCHEMBL2968180 0.86 MRGPRX1 (0.33) HTR2CADRB2DRD2HTR1DHTR1B
SCHEMBL5774567 0.85
SCHEMBL2961378 0.84
SCHEMBL2961186 0.84 ALDH1A1 (0.38) HTR2BHTR6ALDH1A1TRPC5
SCHEMBL2965674 0.84 BRD9 (0.30) BRD9
SCHEMBL2966173 0.84 DPP4 (0.31) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 BRD9 2712/4885RIPK1 3264/4885KAT2B 1634/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 BRD9 703/4885RIPK1 2735/4885KAT2B 648/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 BRD9 943/4885RIPK1 2009/4885KAT2B 3476/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 BRD9 738/4885RIPK1 3391/4885KAT2B 1271/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 BRD9 738/4885RIPK1 3391/4885KAT2B 1271/4885

“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.