SCHEMBL3636798

SCHEMBL3636798

Cc1cc(C)cc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
PPARA Q07869 3/20 0.38
CRHR1 P34998 1/20 0.38
BRD4 O60885 1/20 0.38
MAPK14 Q16539 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FRK P42685 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
ADRA2A P08913 1/20 0.37
DHODH Q02127 3/20 0.36
FFAR1 O14842 1/20 0.36
ERBB2 P04626 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL3636135 0.89 ERBB2 (0.47) CLK1DYRK1APPARAPOLBMAPT
SCHEMBL3637862 0.89 ERBB2 (0.43) BRD4MAPK14POLBMAPTTP53
SCHEMBL3641215 0.87 MAPT (0.44) CLK1DYRK1APPARABRD4MAPT
SCHEMBL3639726 0.85 MAPT (0.41) CLK1DYRK1APPARAMAPTTP53
SCHEMBL3637888 0.85 CSF1R (0.42) CLK1DYRK1AMAPTTP53GAA
SCHEMBL3639603 0.85 P2RX1 (0.42) CLK1DYRK1APPARAMAPTFRK
SCHEMBL3638995 0.83 PHGDH (0.43) CRHR1
SCHEMBL3639591 0.83 PLK1 (0.42) MAPTGAANTRK1
SCHEMBL3636214 0.82 MAPT (0.49) CLK1DYRK1APPARABRD4MAPT
SCHEMBL3634547 0.82 CLK1 (0.46) CLK1DYRK1APPARABRD4MAPK14

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
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
CN-101687790-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 CN disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 CLK1 4069/4885DYRK1A 2140/4885PPARA 435/4885

“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.