SCHEMBL4119102

SCHEMBL4119102

c1cc2nc3c(cc2cn1)CCCN3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.40
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
UHRF1 Q96T88 1/20 0.36
ROCK1 Q13464 1/20 0.33
CDC7 O00311 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32
PRKCZ Q05513 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
GRM5 P41594 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL9098370 0.80 RAB9A (0.43) NNMTMAPTUHRF1MEN1RAB9A
SCHEMBL6308267 0.74 ACHE (0.41) MAPTSIGMAR1CHRNB2CHRNA4ROCK1
SCHEMBL22743534 0.73 ALDH1A1 (0.42) NNMTUHRF1EHMT2MEN1RAB9A
SCHEMBL22743004 0.73 BACE1 (0.39) NNMTUHRF1EHMT2MEN1RAB9A
SCHEMBL6308105 0.72 MAPT (0.52) MAPTSIGMAR1CHRNB2CHRNA4ROCK1
SCHEMBL6307347 0.72 MAPT (0.52) MAPTSIGMAR1CHRNB2CHRNA4ROCK1
SCHEMBL22717228 0.72 NNMT (0.35) NNMTMAPTUHRF1EHMT2MEN1
SCHEMBL4119594 0.70 CYP3A4 (0.44) MAPTCHRNB2CHRNA4
SCHEMBL22743872 0.70 UHRF1 (0.36) NNMTUHRF1EHMT2MEN1RAB9A
SCHEMBL14852740 0.69 MAPT (0.45) NNMTMAPTEHMT2MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013082751-A1 PHOSPHATE TRANSPORT INHIBITORS I LEO PHARMA A/S (DK) 2013-06-13 WO disclosed
WO-2013082756-A1 PHOSPHATE TRANSPORT INHIBITORS II LEO PHARMA A/S (DK) 2013-06-13 WO disclosed
US-20090023756-A1 SUBSTITUTED QUINAZOLINES AS PDE10 INHIBITORS PFIZER INC 2009-01-22 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-20090023756-A1 SUBSTITUTED QUINAZOLINES AS PDE10 INHIBITORS PDE12, PDE5A, PDE10A NNMT 109/4885MAPT 349/4885SIGMAR1 2765/4885

“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.