SCHEMBL2813035

SCHEMBL2813035

COc1cc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
OGA O60502 2/20 0.36
KDM1A O60341 9/20 0.36
RCOR1 Q9UKL0 9/20 0.36
EHMT2 Q96KQ7 7/20 0.36
MAPT P10636 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL2811115 0.94 MAPT (0.40) SIGMAR1KDM1ARCOR1EHMT2MAPT
SCHEMBL2810273 0.92 ADORA3 (0.41) SIGMAR1OGAMAPT
SCHEMBL2813941 0.92 ADORA3 (0.41) SIGMAR1OGAMAPT
SCHEMBL2812972 0.92 SIGMAR1 (0.38) MCHR1SIGMAR1MAPT
SCHEMBL2812214 0.88 ADORA2A (0.42) SIGMAR1
SCHEMBL2813048 0.86 IP6K1 (0.40) SIGMAR1KDM1ARCOR1EHMT2
SCHEMBL2811035 0.86 ACHE (0.37) OGAMAPT
SCHEMBL537584 0.86 ACHE (0.45) SIGMAR1EHMT2MAPT
SCHEMBL2812918 0.85 MRGPRX1 (0.38) SIGMAR1MAPT
SCHEMBL2810531 0.85 MRGPRX1 (0.48) OGA

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MCHR1 4806/4885SIGMAR1 4535/4885OGA 3938/4885

“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.