SCHEMBL7868936

SCHEMBL7868936

O=C1c2cnc3cccc(n23)CN1CC1CCN(S(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.33
GRM2 Q14416 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
PIM1 P11309 3/20 0.32
FLT3 P36888 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CCND1 P24385 3/20 0.30

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
Hydrochloric Acid SCHEMBL7863474 0.99 KCNH2 (0.32) KCNH2GRM2KDM4EALDH1A1HPGD
SCHEMBL7863415 0.92 HTR2A (0.35) KCNH2CNR2CNR1PIM1FLT3
SCHEMBL7870234 0.90 HDAC3 (0.32) KCNH2CNR2CNR1PIM1FLT3
Hydrochloric Acid SCHEMBL7871669 0.89 HDAC3 (0.32) KCNH2CNR2CNR1PIM1FLT3
SCHEMBL8712933 0.85 ACHE (0.35) KCNH2CNR2CNR1PIM1FLT3
SCHEMBL7870206 0.83 PIM1 (0.38) KCNH2GRM2CNR2PIM1FLT3
Hydrochloric Acid SCHEMBL7871617 0.82 PIM1 (0.37) KCNH2GRM2CNR2PIM1FLT3
SCHEMBL7870260 0.81 PIM1 (0.37) KCNH2GRM2PIM1FLT3PIM3
Hydrochloric Acid SCHEMBL7863541 0.81 PIM1 (0.36) KCNH2GRM2PIM1FLT3PIM3
Hydrochloric Acid SCHEMBL7875448 0.78 PARP1 (0.44) PIM1

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 7 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 claimed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US claimed
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP claimed
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-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP 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 KCNH2 1987/4885GRM2 2049/4885KDM4E 834/4885

“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.