SCHEMBL2762483

SCHEMBL2762483

O=[N+]([O-])c1ccc(Oc2ccnc(NCCCO)n2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.49
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSPB1 P04792 4/20 0.44
ALDH1A1 P00352 3/20 0.43
KDR P35968 2/20 0.43
S1PR4 O95977 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.39
BCL6 P41182 1/20 0.38
GSK3A P49840 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 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
SCHEMBL2762537 0.88 KMT2A (0.46) METHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL2763533 0.83 TDP1 (0.46) HPGDSMN1; SMN2HSPB1ALDH1A1TDP1
SCHEMBL2763172 0.82 MET (0.44) METKDRBCL6GSK3A
SCHEMBL1136819 0.79 KMT2A (0.55) METSMN1; SMN2HSPB1ALDH1A1KDR
SCHEMBL1136784 0.77 HSPB1 (0.54) METSMN1; SMN2HSPB1ALDH1A1S1PR4
SCHEMBL3835774 0.75 KMT2A (0.47) HPGDSMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL2762612 0.71 BCL6 (0.45) METHPGDKDRBCL6GSK3A
SCHEMBL23579411 0.71 ALDH1A1 (0.69) HPGDSMN1; SMN2ALDH1A1TDP1PKM
SCHEMBL12386001 0.68 HSPB1 (0.47) METSMN1; SMN2HSPB1ALDH1A1KDR
SCHEMBL28593422 0.68 GCK (0.47) METHSPB1ALDH1A1KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080552-B2 Pyrimidyl derivatives as protein kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-12-20 US disclosed
EP-2102173-B1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
EP-2102173-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO 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-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 MET 826/4885HPGD 1367/4885SMN1; SMN2 3404/4885

“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.