SCHEMBL2016277

SCHEMBL2016277

CCCN(CCC)c1nnc(-c2cccc3ccccc23)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.44
MAPT P10636 2/20 0.44
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR7 P34969 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL2020171 0.88 CRHR1 (0.45) CRHR1MAPTMAPK11MAPK14ALDH1A1
SCHEMBL2024570 0.87 LMNA (0.48) CRHR1MAPTMAPK11MAPK14ALDH1A1
SCHEMBL2019463 0.84 CRHR1 (0.45) CRHR1MAPTMEN1NPC1AGTR1
SCHEMBL2015379 0.83 CRHR1 (0.60) CRHR1MAPT
SCHEMBL2019281 0.82 METAP2 (0.46) CRHR1MAPT
SCHEMBL12750202 0.76 CRHR1 (0.74) CRHR1
SCHEMBL2019659 0.73 CRHR1 (0.51) CRHR1
SCHEMBL20751802 0.73 CRHR1 (0.46) CRHR1MAPTALDH1A1HPGDMEN1
SCHEMBL2017137 0.73 LMNA (0.43) CRHR1MAPTALDH1A1AGTR1
SCHEMBL2016941 0.73 CRHR1 (0.47) CRHR1

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-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US claimed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 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-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 CRHR1 2714/4885MAPT 3362/4885MAPK11 897/4885

“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.