SCHEMBL7875623

SCHEMBL7875623

Cc1nc2cccc3c(=O)n(CCCCCNC(=O)OC(C)(C)C)c1n23

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.47
STING1 Q86WV6 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD2 P14416 3/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
DYRK1A Q13627 1/20 0.41
PLK1 P53350 1/20 0.41

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
SCHEMBL7863452 0.82 DRD2 (0.44) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL7871627 0.82 PIM1 (0.45) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL7871623 0.81 BRD4 (0.44) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL7872394 0.80 BRD4 (0.42) BRD4PIM1
SCHEMBL7872393 0.80 BRD4 (0.42) BRD4PIM1
SCHEMBL7863419 0.77 EPHX1 (0.37) CYP2C19
SCHEMBL7868717 0.77 DRD2 (0.42) BRD4STING1CYP3A4CYP2D6CYP2C9
SCHEMBL7863478 0.74 ALDH1A1 (0.48) CYP3A4CYP2C19
SCHEMBL1308888 0.73 PIM1 (0.49) BRD4STING1DRD2PIM1PIM3
SCHEMBL7863443 0.71 FAAH (0.38) BRD4STING1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN BRD4 653/4885STING1 3083/4885CYP3A4 775/4885

“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.