SCHEMBL13199889

SCHEMBL13199889

CON(C)C(=O)c1nc(Br)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A3 Q01959 1/20 0.40
CLK1 P49759 2/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
MLYCD O95822 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL30843247 0.84 CLK1 (0.40) MEN1KMT2ASLC6A3CLK1DYRK1A
SCHEMBL26632215 0.84 KMT2A (0.42) MEN1KMT2ASLC6A3CLK1DYRK1A
SCHEMBL21591727 0.83 TRPM8 (0.38) MEN1KMT2ASLC6A3CLK1DYRK1A
SCHEMBL26034814 0.80 TRPM8 (0.36) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL29845286 0.79 MEN1 (0.38) MEN1KMT2ASLC6A3CLK1DYRK1A
SCHEMBL21591705 0.79 MEN1 (0.35) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL20303434 0.78 TUBB4A (0.41) SLC6A3CLK1DYRK1ADYRK1BALDH1A1
SCHEMBL2349201 0.77 NPSR1 (0.47) ALDH1A1PKMSMN1; SMN2MAPTL3MBTL1
SCHEMBL28514936 0.76 PTGS2 (0.35) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL9280675 0.75 KMT2A (0.43) MEN1KMT2ASLC6A3CLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 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 (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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS MEN1 1582/4885KMT2A 2927/4885SLC6A3 2539/4885

“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.