SCHEMBL2015235

SCHEMBL2015235

COc1ccc2c(c1)C(C1CCC1)N(c1nnc(-c3c(C)cccc3C)c3ccccc13)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
DRD1 P21728 2/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
FKBP1A P62942 1/20 0.36
SMO Q99835 1/20 0.35
RORC P51449 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TUBB4A P04350 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
SCHEMBL2019705 0.83 NPSR1 (0.37) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL2016015 0.78 MEN1 (0.38) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL12574588 0.74 KMT2A (0.39) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL2015921 0.68 KMT2A (0.40) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL2015297 0.68 MAOA (0.42) NPSR1MEN1KMT2ASMN1; SMN2DRD1
SCHEMBL2020683 0.68 NPSR1 (0.41) NPSR1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL6716286 0.67 ESR1 (0.69) DRD1DRD2DRD4FKBP1AESR1
SCHEMBL2017286 0.65 MEN1 (0.36) NPSR1MEN1KMT2ASMN1; SMN2SMO
SCHEMBL17822086 0.62 GRIN1 (0.45) KMT2ASIGMAR1DRD1DRD2DRD4
SCHEMBL2019614 0.61 IDO1 (0.46) NPSR1

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-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-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 NPSR1 1138/4885MEN1 1832/4885KMT2A 2091/4885

“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.