SCHEMBL8779779

SCHEMBL8779779

Cc1cc(F)ccc1-c1cccc(-c2nc(C)c3ccccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
CTSA P10619 1/20 0.41
AR P10275 1/20 0.40
TGFBR1 P36897 6/20 0.40
MAPK14 Q16539 1/20 0.39
CHEK2 O96017 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL8779718 0.85 NR1I3 (0.48) CTSAABCG2ALDH1A1CYP1A2HPGD
SCHEMBL8818027 0.80 TGFBR1 (0.48) ARTGFBR1MAPK14CYP1A2
SCHEMBL3794048 0.80 AR (0.39) CTSAARALDH1A1CYP1A2MAPT
SCHEMBL8779765 0.79 KMT2A (0.46) PDE10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8884919 0.76 PDE10A (0.62) PDE10ATGFBR1MAPK14ALDH1A1CYP1A2
SCHEMBL28054446 0.74 ABCG2 (0.57) PDE10AABCG2ALDH1A1CYP1A2HPGD
SCHEMBL8872433 0.74 PDE10A (0.49) PDE10ATGFBR1MAPK14ALDH1A1CYP1A2
SCHEMBL8817528 0.72 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL1359065 0.72 CTSA (0.41) CTSAARTGFBR1MAPK14
SCHEMBL8779746 0.72 PDE10A (0.45) PDE10AABCG2ALDH1A1CYP1A2HPGD

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-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO 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 PDE10A 1335/4885CTSA 891/4885AR 3869/4885

“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.