SCHEMBL489831

SCHEMBL489831

O=C(NCCCN1CCCC1)c1ccc(-c2cnc([AsH2])c(OCc3c(F)ccc(F)c3Cl)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
ATR Q13535 4/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
THRB P10828 1/20 0.39
FPR3 P25089 1/20 0.39
SMYD2 Q9NRG4 1/20 0.39
MCHR1 Q99705 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
SCHEMBL30453094 0.91 ATR (0.50) METATRMAPTALDH1A1MEN1
SCHEMBL488513 0.91 ATR (0.50) METATRMAPTALDH1A1MEN1
SCHEMBL30453304 0.85 ATR (0.55) METATRALDH1A1
SCHEMBL487751 0.85 ATR (0.55) METATRALDH1A1
SCHEMBL488475 0.84 KLK7 (0.47) METALDH1A1MEN1KMT2AHTR1A
SCHEMBL30454451 0.84 KLK7 (0.47) METALDH1A1MEN1KMT2AHTR1A
SCHEMBL488105 0.82 ATR (0.53) METATRMAPTMEN1KMT2A
SCHEMBL30453359 0.82 ATR (0.53) METATRMAPTMEN1KMT2A
SCHEMBL488479 0.79 CD274 (0.50) METATRALDH1A1HTR1A
SCHEMBL30453023 0.79 CD274 (0.50) METATRALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885ATR 1416/4885MAPT 2035/4885

“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.