SCHEMBL4236444

SCHEMBL4236444

CC(=O)Nc1cc(-c2[nH]nc3c2CN(C(C)c2ccccc2)C3)c2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 3/20 0.40
OGA O60502 2/20 0.39
KLK7 P49862 1/20 0.37
MEN1 O00255 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.33
DRD4 P21917 1/20 0.33
ITK Q08881 1/20 0.33
THRB P10828 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
USP2 O75604 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
SCHEMBL2921200 0.84 MAPK1 (0.38) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2917360 0.79 MAPK1 (0.39) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2914149 0.78 CHEK1 (0.41) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2917107 0.78 MAPK1 (0.42) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2923200 0.75 MAPK1 (0.34) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2919683 0.74 CCNE2 (0.41) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2920902 0.74 CACNA1B (0.45) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2916841 0.72 NPC1 (0.39) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2917510 0.72 MAPK1 (0.35) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2917686 0.71 GSK3A (0.42) MAPTKDM4EALDH1A1GAATDP1

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-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 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-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MAPT 1104/4885KDM4E 3487/4885ALDH1A1 3455/4885

“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.