SCHEMBL2015637

SCHEMBL2015637

Cc1cccc(C)c1-c1cc(C2CCC2)c(CNC2CCCc3ccccc32)nn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
DHFR P00374 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PRMT5 O14744 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
PFKFB3 Q16875 1/20 0.40
HTT P42858 1/20 0.39
CD38 P28907 1/20 0.39

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
SCHEMBL2015639 0.75 ALDH1A1 (0.38) TAS1R3TAS1R1TAS1R2USP2ALDH1A1
SCHEMBL6253383 0.69 KDM4E (0.58) KDM4EKMT2ADHFRALDH1A1PRMT5
SCHEMBL2017629 0.69 IKBKB (0.35)
SCHEMBL6255800 0.67 KDM4E (0.58) KDM4EKMT2AALDH1A1PRMT5HTT
SCHEMBL6253167 0.67 KDM4E (0.55) KDM4EKMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL6252685 0.67 KDM4E (0.65) KDM4EKMT2AALDH1A1PRMT5MEN1
SCHEMBL2704412 0.67 KDM4E (0.65) KDM4EKMT2AALDH1A1PRMT5MEN1
SCHEMBL1327511 0.66 HTT (0.56) KDM4EKMT2AALDH1A1PRMT5MEN1
SCHEMBL1327514 0.66 HTT (0.56) KDM4EKMT2AALDH1A1PRMT5MEN1
SCHEMBL14930299 0.66 HTT (0.56) KDM4EKMT2AALDH1A1PRMT5MEN1

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 2 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 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 KDM4E 1444/4885KMT2A 2091/4885TAS1R3 2759/4885

“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.