SCHEMBL3634726

SCHEMBL3634726

Fc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.43
KIT P10721 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR55 Q9Y2T6 1/20 0.39
IDH1 O75874 1/20 0.39
VNN1 O95497 1/20 0.37
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
GABRA5 P31644 3/20 0.36
CRHR1 P34998 1/20 0.35
PPARA Q07869 1/20 0.34

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
SCHEMBL3640997 0.87 CSF1R (0.43) CSF1RKITCLK1DYRK1ANPC1
SCHEMBL3639542 0.87 CSF1R (0.44) CSF1RKITCLK1DYRK1ANPC1
SCHEMBL3635315 0.85 CSF1R (0.54) CSF1RKITNPC1RAB9ASTIM1
SCHEMBL3634547 0.83 CLK1 (0.46) CSF1RCLK1DYRK1AVNN1HDAC6
SCHEMBL3636802 0.82 NPC1 (0.47) CSF1RKITNPC1RAB9AHDAC6
SCHEMBL3637563 0.81 CLK1 (0.41) CSF1RCLK1DYRK1AVNN1PPARA
SCHEMBL3639200 0.81 CLK1 (0.45) CSF1RKITCLK1DYRK1AVNN1
SCHEMBL3641215 0.79 MAPT (0.44) CLK1DYRK1APPARA
SCHEMBL3639959 0.79 MEN1 (0.38) CSF1RKITCLK1DYRK1AHDAC1
SCHEMBL3633738 0.78 KCNQ3 (0.45) CLK1DYRK1A

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 5 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
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 CSF1R 1747/4885KIT 4445/4885CLK1 4069/4885

“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.