SCHEMBL4166221

SCHEMBL4166221

CCc1cc(NN)nnc1Cn1ccnc1-c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ BRD4 O60885 6/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MC1R Q01726 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL4171889 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886305 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886351 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886317 0.82 BRD4 (0.40) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886328 0.79 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886334 0.79 MAPT (0.39) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886376 0.79 CYP1A1 (0.37) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL5886243 0.78 PIK3CA (0.40) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL5886275 0.77 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTKDRKMT2A
SCHEMBL4162740 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTKDRKMT2A

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-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
EP-1713784-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-10-25 — — EP disclosed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — WO disclosed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — WO 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-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands GABRA4, GABRA2, GABRA5 ALDH1A1 1584/4885NPSR1 75/4885MAPT 2164/4885

“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.

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