SCHEMBL3415080

SCHEMBL3415080

Nc1ccc2nc(N)c(C3COc4ccccc43)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 2/20 0.33
CASP1 P29466 2/20 0.33
MAPT P10636 2/20 0.33
HTR3A P46098 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
PIK3CA P42336 2/20 0.32
CYP19A1 P11511 2/20 0.32
NPC1 O15118 2/20 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
SCHEMBL3410984 0.79 CYP19A1 (0.37) ALDH1A1KDM4EMAPTCYP19A1KMT2A
SCHEMBL3430394 0.75 ADRA1A (0.42) PLAUALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4109733 0.75 ADRA1A (0.42) PLAUALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3409292 0.72 PLAU (0.39) PLAUALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL28789862 0.66 KDM4E (0.36) PLAUALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL27822668 0.65 PLAU (0.31) PLAUALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3433618 0.64 IDO1 (0.39) PLAUKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL3432049 0.64 IDO1 (0.39) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL10368265 0.63 CYP19A1 (0.58) LMNAMAPTTSHRCYP19A1KMT2A
SCHEMBL807074 0.61 FGFR1 (0.57) PLAUALDH1A1KDM4ESMN1; SMN2HSD17B10

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A PLAU 4353/4885ALDH1A1 1203/4885KDM4E 1399/4885

“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.