SCHEMBL5785128

SCHEMBL5785128

COc1cc(C(C)(C)CN)cc2c1OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.31
CTSA P10619 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AKT1 P31749 1/20 0.31
DHFR P00374 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL24805780 0.80 CTSA (0.41) HTR2AKMT2ANPC1RAB9ALMNA
SCHEMBL5784863 0.79 KMT2A (0.40) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL5787074 0.78 KMT2A (0.37) HTR2AKMT2ANPC1RAB9ALMNA
SCHEMBL5786813 0.78 KMT2A (0.38) KMT2ANPC1RAB9ALMNA
SCHEMBL5783751 0.77 HTR2A (0.40) HTR2AKMT2ANPC1RAB9ALMNA
SCHEMBL28496894 0.75 KMT2A (0.39) HTR2AKMT2ANPC1RAB9ALMNA
SCHEMBL5785017 0.75 HTR2A (0.49) HTR2AKMT2ALMNAALDH1A1DHFR
SCHEMBL5785262 0.74 KMT2A (0.42) KMT2ANPC1RAB9ALMNA
SCHEMBL2328393 0.72 KMT2A (0.39) HTR2AKMT2ANPC1RAB9ALMNA
SCHEMBL5782999 0.72 KMT2A (0.41) KMT2ANPC1RAB9ALMNAALDH1A1

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 4536/4885KMT2A 1140/4885NPC1 3538/4885

“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.