SCHEMBL309774

SCHEMBL309774

C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1cnn2cc(Br)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
SPR P35270 1/20 0.38
PDE2A O00408 5/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6411414 0.91 PDE2A (0.46) SPRPDE2AALDH1A1PDE10A
SCHEMBL309128 0.91 PDE2A (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL310170 0.90 HTT (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL6416356 0.90 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL10042206 0.90 TSHR (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL310204 0.88 CCR6 (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL3770851 0.85 SPR (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL309552 0.85 SPR (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL309343 0.85 SPR (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL10042205 0.81 TSHR (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4

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 6 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
EP-2313413-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-04-27 EP 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
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 HDAC3 1089/4885HDAC1 1702/4885HDAC2 509/4885

“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.