SCHEMBL2108681

SCHEMBL2108681

O=C1c2ccnc(Cl)c2OCCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.42
ROCK1 Q13464 6/20 0.42
IDH1 O75874 1/20 0.42
MAPK1 P28482 5/20 0.41
DHPS P49366 1/20 0.41
TNIK Q9UKE5 2/20 0.41
GRM5 P41594 1/20 0.39

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
SCHEMBL5864048 0.78 DHPS (0.58) IDH1MAPK1DHPSGRM5
SCHEMBL3277729 0.77 KCNH2 (0.46) ROCK2ROCK1MAPK1DHPSTNIK
SCHEMBL1775226 0.76 MAPK1 (0.42) ROCK2ROCK1MAPK1TNIKGRM5
SCHEMBL6787537 0.76 DHPS (0.42) ROCK2ROCK1MAPK1DHPSTNIK
SCHEMBL21273618 0.75 IDH1 (0.60) IDH1MAPK1DHPS
SCHEMBL16488375 0.75 DDB1 (0.47) MAPK1GRM5
SCHEMBL11985664 0.74 PRMT5 (0.49) ROCK2ROCK1MAPK1DHPSTNIK
SCHEMBL3283649 0.74 MAPK1 (0.41) ROCK2ROCK1MAPK1TNIKGRM5
SCHEMBL2110623 0.72 CYP1A2 (0.47)
SCHEMBL6794959 0.71 ROCK2 (0.41) ROCK2ROCK1MAPK1TNIK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ROCK2 1719/4885ROCK1 2844/4885IDH1 3322/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ROCK2 1719/4885ROCK1 2844/4885IDH1 3322/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ROCK2 1719/4885ROCK1 2844/4885IDH1 3322/4885

“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.