SCHEMBL9979194

SCHEMBL9979194

Clc1nc(NCc2ccncc2)c2ccncc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.60
▸ APP P05067 2/20 0.60
▸ EGFR P00533 1/20 0.51
▸ LATS1 O95835 11/20 0.48
▸ LATS2 Q9NRM7 10/20 0.48
▸ PTGS1 P23219 2/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ PRKCH P24723 2/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ USP2 O75604 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CLK4 Q9HAZ1 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
SCHEMBL12039899 0.89 PDE5A (0.54) PDE5AAPPEGFRLATS1LATS2
SCHEMBL17933800 0.77 SGK1 (0.51) PDE5AAPPPDE2ALMNAROCK2
SCHEMBL27253658 0.76 HTT (0.62) PDE5AAPPEGFRALDH1A1MAPK1
SCHEMBL31620265 0.76 HTT (0.62) PDE5AAPPEGFRALDH1A1MAPK1
SCHEMBL31572126 0.75 PDE2A (0.46) PDE5AAPPPDE2AMEN1KMT2A
SCHEMBL20119397 0.75 PDE5A (0.48) PDE5AAPPPTGS1TBXAS1PTGS2
SCHEMBL29833956 0.75 PDE5A (0.48) PDE5AAPPPTGS1TBXAS1PTGS2
SCHEMBL29388255 0.75 APP (1.00) PDE5AAPPEGFRPTGS1TBXAS1
SCHEMBL3113122 0.75 APP (1.00) PDE5AAPPEGFRPTGS1TBXAS1
SCHEMBL23498518 0.74 PDE4A (0.64) PDE5AAPP

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
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 — — US disclosed
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 — — US disclosed
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 — — 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-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS PDE5A, PDE12, PDE7B PDE5A 1/4885APP 4457/4885EGFR 4831/4885

“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.

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