SCHEMBL7863452

SCHEMBL7863452

CC(C)(C)OC(=O)NCCCCCn1c(=O)c2cccc3ncc(c1=O)n32

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
BRD4 O60885 4/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
STING1 Q86WV6 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLK1 P53350 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
DYRK1A Q13627 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7871623 0.99 BRD4 (0.44) DRD2BRD4PIM1PIM3STING1
SCHEMBL7871627 0.91 PIM1 (0.45) DRD2BRD4PIM1PIM3STING1
SCHEMBL7868717 0.90 DRD2 (0.42) DRD2BRD4PIM1PIM3STING1
SCHEMBL7875623 0.82 BRD4 (0.47) DRD2BRD4PIM1PIM3STING1
SCHEMBL7870254 0.75 DRD2 (0.44) DRD2BRD4CYP3A4TDP1CA12
Hydrochloric Acid SCHEMBL7863435 0.73 NPY5R (0.36) TDP1CNR2
SCHEMBL1308888 0.72 PIM1 (0.49) DRD2BRD4PIM1PIM3STING1
SCHEMBL22291518 0.70 TPSAB1 (0.54) DRD2BRD4CYP3A4CYP2D6CYP2C9
SCHEMBL9773851 0.70 TPSAB1 (0.54) DRD2BRD4CYP3A4CYP2D6CYP2C9
SCHEMBL31655700 0.70 TPSAB1 (0.54) DRD2BRD4CYP3A4CYP2D6CYP2C9

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 5 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
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 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 DRD2 1720/4885BRD4 653/4885PIM1 3663/4885

“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.