SCHEMBL2360807

SCHEMBL2360807

Cn1c(N)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1D Q01668 1/20 0.52
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ SCN4A P35499 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ THPO P40225 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
SCHEMBL16767912 0.85 HRH4 (0.39) CACNA1DMEN1KMT2APKMKDM4E
Bromide SCHEMBL116435 0.83 TLR8 (0.46) CACNA1DCYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL8058929 0.81 KDM4E (0.50) MEN1KMT2APKMKDM4ECYP1A2
SCHEMBL28428214 0.81 NOS2 (0.50) CACNA1DMEN1KMT2AEPHX2SCN4A
SCHEMBL10238327 0.81 MEN1 (0.47) CACNA1DMEN1KMT2APKMKDM4E
SCHEMBL12377318 0.81 CACNA1D (0.50) CACNA1DMEN1KMT2AEPHX2SCN4A
SCHEMBL2362142 0.80 POLB (0.57) CACNA1DKDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL2711203 0.80 PKM (0.49) CACNA1DMEN1KMT2APKMKDM4E
SCHEMBL1748120 0.80 SMN1; SMN2 (0.53) CACNA1DMEN1KMT2APKMKDM4E
SCHEMBL7770175 0.80 MEN1 (0.46) CACNA1DMEN1KMT2APKMKDM4E

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP claimed
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 — — WO disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 — — US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 — — US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 — — US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 — — US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 — — 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 (4 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 CACNA1D 40/4885MEN1 4543/4885KMT2A 2659/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CACNA1D 40/4885MEN1 4543/4885KMT2A 2659/4885
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CACNA1D 4324/4885MEN1 614/4885KMT2A 1857/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 CACNA1D 4789/4885MEN1 2906/4885KMT2A 4563/4885

“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.

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