SCHEMBL7863466

SCHEMBL7863466

O=C(N1CCC(Cn2c(=O)c3cccc4ncc(c2=O)n43)CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
RIPK1 Q13546 1/20 0.36
PIM1 P11309 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 5/20 0.34
KDM1A O60341 1/20 0.34
LRRK2 Q5S007 1/20 0.34
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.32
TPSAB1 Q15661 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL7868743 0.82 KDM4E (0.37) CNR2GRIN1GRIN2BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7872386 0.77 KDM4E (0.41) GRIN1GRIN2BKDM4EALDH1A1NPSR1
SCHEMBL7870206 0.76 PIM1 (0.38) CNR2RIPK1PIM1KDM1ALRRK2
Hydrochloric Acid SCHEMBL7871617 0.75 PIM1 (0.37) CNR2RIPK1PIM1KDM1ALRRK2
SCHEMBL8713347 0.74 HTR1A (0.34) CNR2
SCHEMBL7863410 0.74 PIK3CA (0.46) KDM4E
SCHEMBL7863438 0.73 USP1 (0.36) CNR2GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL7863454 0.71 PIM1 (0.37) RIPK1PIM1KDM4EALDH1A1KDM1A
SCHEMBL7870260 0.68 PIM1 (0.37) PIM1PARP1
Hydrochloric Acid SCHEMBL7863541 0.67 PIM1 (0.36) PIM1PARP1

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 CNR2 878/4885RIPK1 3924/4885PIM1 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.