SCHEMBL3613504

SCHEMBL3613504

C=Cc1c(-c2ccccc2)nn(C)c1Oc1cc(O)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CSF1R P07333 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKCQ Q04759 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL3603089 0.83 RECQL (0.39) RECQLSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL3607161 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3609174 0.79 FPR2 (0.31)
SCHEMBL3613082 0.78
SCHEMBL3610894 0.77 RAB9A (0.30) SMN1; SMN2ALDH1A1
SCHEMBL3611386 0.77 CYP1A2 (0.34) RECQLNPSR1ALDH1A1CYP1A2CYP2C9
SCHEMBL3605600 0.77
SCHEMBL3616638 0.76
SCHEMBL3606350 0.76 SCN2B (0.30)
SCHEMBL3613469 0.76 LMNA (0.46) RECQLSMN1; SMN2NPSR1ALDH1A1

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
US-20100063081-A1 CPCR Agonists PROSIDION LIMITED (GB) 2010-03-11 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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 (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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 RECQL 4416/4885SMN1; SMN2 2663/4885NPSR1 111/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R RECQL 4010/4885SMN1; SMN2 4515/4885NPSR1 2509/4885
US-20100063081-A1 CPCR Agonists GPR119, GCGR, GLP1R RECQL 4220/4885SMN1; SMN2 2914/4885NPSR1 57/4885

“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.