SCHEMBL5019706

SCHEMBL5019706

CCc1c(F)cncc1C(=O)Nc1ccc(C2=C(C)CCN(c3nnn(C)n3)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
PTPN11 Q06124 3/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
MTOR P42345 1/20 0.31
PDE4B Q07343 1/20 0.31
CHRNA7 P36544 2/20 0.31
KCNH2 Q12809 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5019719 0.92 MAPT (0.33) MAPTPTPN11KMT2APOLBCYP3A4
SCHEMBL4561040 0.90 KMT2A (0.35) MAPTPTPN11KMT2ANR3C1TDP1
SCHEMBL986998 0.87 STIM1 (0.42) PTPN11KMT2ANR3C1L3MBTL1
SCHEMBL15356925 0.86 CYP11B2 (0.31)
SCHEMBL1781817 0.84 KMT2A (0.50) MAPTKMT2APOLBTDP1CHRNA7
SCHEMBL5019710 0.84 MAPT (0.34) MAPTPTPN11KMT2APOLBCYP3A4
SCHEMBL5019765 0.83 CSNK1D (0.37) MAPTPTPN11TDP1L3MBTL1
SCHEMBL5019638 0.82 KMT2A (0.41) MAPTKMT2APOLBTDP1CHRNA7
SCHEMBL5019609 0.82 AVPR2 (0.42) MAPTKMT2APOLBTDP1CHRNA7
SCHEMBL5019637 0.82 KMT2A (0.41) MAPTKMT2ANR3C1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-10-31 US disclosed
WO-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 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 (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-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, IL5, TPMT MAPT 497/4885PTPN11 1503/4885KMT2A 3121/4885

“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.