SCHEMBL8775767

SCHEMBL8775767

COc1cccc(F)c1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.47
RPS6KA2 Q15349 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PPP1CA P62136 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 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
SCHEMBL8776232 0.91 HTR7 (0.45) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8776105 0.87 CYP1A2 (0.42) L3MBTL1HTTSMN1; SMN2
SCHEMBL8775692 0.85 SMN1; SMN2 (0.47) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8776618 0.85 MAP4K1 (0.45) MAP4K1RPS6KA2L3MBTL1MEN1KMT2A
SCHEMBL8776365 0.82 NPC1 (0.40) L3MBTL1MEN1ALDH1A1PPP1CAKMT2A
SCHEMBL8776077 0.82 MAOA (0.44) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8775247 0.82 ALDH1A1 (0.46) L3MBTL1MEN1ALDH1A1HTTKMT2A
SCHEMBL8776337 0.81 L3MBTL1 (0.41) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8776017 0.81 KCNH2 (0.45) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8775539 0.81 L3MBTL1 (0.47) RPS6KA2L3MBTL1MEN1ALDH1A1HTT

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 MAP4K1 1097/4885RPS6KA2 3743/4885L3MBTL1 3069/4885

“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.