SCHEMBL3972335

SCHEMBL3972335

N#Cc1cc(-c2ccccc2)nnc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
ADRB2 P07550 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.51
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
CASP1 P29466 3/20 0.49
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GABRA1 P14867 2/20 0.44

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
SCHEMBL10844529 0.84 CASP1 (0.50) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL10845878 0.82 CYP2A6 (0.47) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL10844756 0.76 CYP1A2 (0.42) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL581664 0.75 CASP1 (0.56) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL1752831 0.75 SMARCA2 (0.59) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL1752913 0.75 MEN1 (0.54) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL30271446 0.75 MEN1 (0.82) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL30271447 0.75 SMN1; SMN2 (1.00) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL30271455 0.75 SMN1; SMN2 (1.00) SMN1; SMN2LMNAADRB2MEN1KMT2A
SCHEMBL5827038 0.74 ALDH1A1 (0.54) SMN1; SMN2LMNAADRB2MEN1KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US disclosed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US disclosed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO disclosed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 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 (4 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 SMN1; SMN2 4208/4885LMNA 4775/4885ADRB2 36/4885
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 SMN1; SMN2 4363/4885LMNA 1243/4885ADRB2 62/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP SMN1; SMN2 3315/4885LMNA 3146/4885ADRB2 60/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 SMN1; SMN2 4208/4885LMNA 4775/4885ADRB2 36/4885

“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.