SCHEMBL2198709

SCHEMBL2198709

CCCCC#Cc1cccc(-n2nc(CC)c(C(=O)OC)c2CC)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2199894 0.89 HAO1 (0.36) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2202108 0.78 L3MBTL3 (0.39)
SCHEMBL2198150 0.78 PTGDR2 (0.42) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL2203835 0.77 PARP1 (0.36)
SCHEMBL2198953 0.77 JAK1 (0.38)
SCHEMBL12266477 0.71 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL2198457 0.71 PTGDR2 (0.42) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL2198448 0.71 PTGDR2 (0.42) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14482214 0.68 PDE4D (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14553209 0.68 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1CYP1A2

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 MAPT 4214/4885MEN1 4450/4885KMT2A 4057/4885

“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.