SCHEMBL8778644

SCHEMBL8778644

Cc1ccc(-c2ncc3ccccc3n2)nc1Sc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PPP1CA P62136 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
PKM P14618 1/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 4/20 0.35

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
SCHEMBL8778660 0.83 MAPT (0.42) MAPTSMN1; SMN2PPP1CAALDH1A1L3MBTL1
SCHEMBL8778643 0.82 ALDH1A1 (0.44) MAPTSMN1; SMN2PPP1CAALDH1A1NPSR1
SCHEMBL8776689 0.77 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL8778671 0.75 CYP1A2 (0.46) ALDH1A1TDP1KDM4EHPGDCYP1A2
SCHEMBL8777719 0.75 LMNA (0.47) MAPTSMN1; SMN2PPP1CAALDH1A1NPSR1
SCHEMBL8776621 0.74 CYP1A2 (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2PTPN11
SCHEMBL8778287 0.74 CYP1A2 (0.36) MAPTSMN1; SMN2PPP1CAALDH1A1NPSR1
SCHEMBL8778454 0.74 CYP1A2 (0.36) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL8776635 0.74 CYP1A2 (0.45) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL8778494 0.73 GRM5 (0.39) CYP1A2KCNH2

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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 MAPT 3067/4885SMN1; SMN2 3646/4885PPP1CA 264/4885

“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.