SCHEMBL2469995

SCHEMBL2469995

Cc1ccc(C2c3c(C)c(N4CCN(c5ccc(C#N)cc5)CC4)c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HTR7 P34969 4/20 0.35
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
CHEK1 O14757 1/20 0.32
KDM1A O60341 3/20 0.32
ALK Q9UM73 3/20 0.32
ADRB1 P08588 1/20 0.32
DHFR P00374 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL2470988 0.92 DHFR (0.35) HTR7ALDH1A1ADRB1DHFR
SCHEMBL2474052 0.86 CCR4 (0.34) TP53ALDH1A1DHFR
SCHEMBL2473192 0.86 KDM1A (0.40) ALDH1A1KDM1A
SCHEMBL2472828 0.84 GFER (0.39) KDM4ETP53HTR7ALDH1A1ADRB1
SCHEMBL2468277 0.84 LMNA (0.32)
SCHEMBL2471718 0.84 CA12 (0.36) HTR7DHFRHRH3
SCHEMBL2476854 0.83 POLB (0.43) ALDH1A1
SCHEMBL2471713 0.82 SLC6A3 (0.32)
SCHEMBL14492108 0.82 ADRB1 (0.39) HTR7ADRB1
SCHEMBL14492113 0.81 MAPT (0.44) KDM4ETP53CHRNA10CHRNA9ALDH1A1

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
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP claimed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 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 (2 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 KDM4E 1841/4885TP53 1727/4885HTR7 552/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 KDM4E 2001/4885TP53 3478/4885HTR7 303/4885

“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.