SCHEMBL11118744

SCHEMBL11118744

CC(=O)Nc1ccc(-c2n[nH]c(=O)cc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.65
▸ CDK8 P49336 3/20 0.65
▸ NTRK3 Q16288 3/20 0.65
▸ NTRK2 Q16620 3/20 0.65
▸ AURKB Q96GD4 2/20 0.65
▸ MET P08581 1/20 0.65
▸ ROCK1 Q13464 1/20 0.65
▸ CLK4 Q9HAZ1 1/20 0.65
▸ NTRK1 P04629 2/20 0.57
▸ RET P07949 2/20 0.57
▸ MAPK14 Q16539 2/20 0.57
▸ LTK P29376 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ TTK P33981 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ PDE5A O76074 1/20 0.50
▸ PDE1A P54750 1/20 0.50
▸ PDE1B Q01064 1/20 0.50

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
SCHEMBL11117497 0.87 ROCK1 (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11120803 0.87 ROCK1 (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11115564 0.86 ROCK1 (0.62) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11121730 0.86 PDGFRB (0.62) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119395 0.86 PDGFRB (0.69) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119155 0.85 ROCK1 (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11117079 0.85 PDGFRB (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11117812 0.85 PDGFRB (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11117107 0.85 PDGFRB (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11120927 0.84 PDGFRB (0.62) PDGFRBCDK8NTRK3NTRK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4397854-A INCREASE IN MYOCARDIAL CONTRACTILITY WARNER-LAMBERT COMPANY (US) 1983-08-09 — — US claimed
EP-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 — — EP disclosed
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 — — US disclosed
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 — — US disclosed
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — US disclosed
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 — — US disclosed
WO-2014164704-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2014-10-09 — — WO disclosed
EP-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 — — EP disclosed
US-4397854-A INCREASE IN MYOCARDIAL CONTRACTILITY WARNER-LAMBERT COMPANY (US) 1983-08-09 — — 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-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, RB1, CDK4 PDGFRB 2161/4885CDK8 325/4885NTRK3 1789/4885

“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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