SCHEMBL3403513

SCHEMBL3403513

c1cncc(COc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.47
GBA1 P04062 2/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HPGDS O60760 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LTB4R Q15722 4/20 0.38
GPR132 Q9UNW8 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.37
PFKFB3 Q16875 1/20 0.37

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
SCHEMBL4106156 1.00 CSF1R (0.47) CSF1RGBA1CYP1A1CYP1B1HPGDS
SCHEMBL3407214 0.85 PFKFB3 (0.42) HPGDSPFKFB3
SCHEMBL3407332 0.84 HPGDS (0.48) HPGDSPFKFB3
SCHEMBL3403238 0.84 HPGDS (0.48) HPGDSPFKFB3
SCHEMBL1615470 0.81 GBA1 (0.49) GBA1JAK2JAK3MAPK1CYP3A4
SCHEMBL1615467 0.81 GBA1 (0.49) GBA1JAK2JAK3MAPK1CYP3A4
SCHEMBL3401134 0.75 FADS1 (0.41) JAK2JAK3PFKFB3
SCHEMBL3404459 0.73 FADS1 (0.43) GBA1PFKFB3
SCHEMBL3403995 0.73 FADS1 (0.55) MAPK1CYP3A4PFKFB3
SCHEMBL3401133 0.73 FADS1 (0.43) GBA1JAK2JAK3PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B CSF1R 1647/4885GBA1 1562/4885CYP1A1 841/4885

“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.