SCHEMBL11963675

SCHEMBL11963675

Cc1ccc(-c2nc(C3C(=O)CC(Cc4ccccn4)C3=O)c(C)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IKBKB O14920 2/20 0.35
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ NEK1 Q96PY6 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL11963701 0.92 HRH3 (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL11963679 0.84 HCRTR1 (0.35) MAPTPPARGPPARA
SCHEMBL430421 0.80 KDM4E (0.39) SYKADORA2AADORA1IKBKBPRKAG1
SCHEMBL1160501 0.77 HRH3 (0.38) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL427443 0.76 IKBKB (0.40) L3MBTL1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL11963683 0.76 PPARA (0.34) KDM4EALDH1A1RAB9APPARGPPARA
SCHEMBL427461 0.76 IKBKB (0.41) SYKADORA2AADORA1IKBKBPRKAG1
SCHEMBL15001746 0.74 RAB9A (0.39) SYKIKBKBPRKAG1PRKAA1NEK1
SCHEMBL428531 0.73 IKBKB (0.38) SYKADORA2AADORA1IKBKBPRKAG1
SCHEMBL427534 0.73 IKBKB (0.38) IKBKBPRKAG1PRKAA1NEK1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — 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-20120202691-A1 NOVEL HERBICIDES DDT, HCN1, HDHD5 SYK 4198/4885ADORA2A 3592/4885ADORA1 2748/4885

“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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