SCHEMBL5785017

SCHEMBL5785017

COc1cc(CCN)cc2c1OC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.38
DHFR P00374 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
OSBP P22059 1/20 0.36

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
SCHEMBL5786290 0.82 KMT2A (0.42) HTR2AKDM4ELMNAKMT2ADHFR
SCHEMBL5787351 0.82 KMT2A (0.40) HTR2AKMT2A
SCHEMBL5783751 0.82 HTR2A (0.40) HTR2AKDM4ELMNAKMT2ADHFR
SCHEMBL5787801 0.79 KDM4E (0.41) HTR2AKDM4EMAPK1LMNAKMT2A
SCHEMBL5783836 0.78 KMT2A (0.42) HTR2AKDM4ELMNAKMT2ACYP3A4
SCHEMBL28496894 0.77 KMT2A (0.39) HTR2AKDM4ELMNAKMT2ADHFR
SCHEMBL5785128 0.75 HTR2A (0.40) HTR2ALMNAKMT2ADHFRALDH1A1
SCHEMBL2328393 0.74 KMT2A (0.39) HTR2AKDM4ELMNAKMT2AALDH1A1
SCHEMBL5782999 0.74 KMT2A (0.41) LMNAKMT2AALDH1A1
Bromide SCHEMBL5784209 0.74 NPC1 (0.39) KDM4ELMNAKMT2AMEN1

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
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A HTR2A 4536/4885HTR2C 4097/4885HTR2B 3827/4885

“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.