SCHEMBL309231

SCHEMBL309231

Cc1cc(C)n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
CNR1 P21554 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3690759 0.90 SPR (0.54) SPRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL309075 0.79 SPR (0.53) SPRALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1430495 0.77 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL9926689 0.76 HPGD (0.70) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL308408 0.76 SPR (0.55) SPRKDM4EL3MBTL1GAACNR1
SCHEMBL9926696 0.75 KDM4E (0.65) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL4203652 0.75 HPGD (0.72) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL1429869 0.74 KMT2A (0.58) SPRALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1947140 0.74 ALDH1A1 (0.53) SPRALDH1A1L3MBTL1GAACNR1
SCHEMBL1949051 0.74 L3MBTL1 (0.64) ALDH1A1KDM4EL3MBTL1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D SPR 4446/4885ALDH1A1 3984/4885HPGD 2351/4885

“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.