SCHEMBL4846578

SCHEMBL4846578

COc1ccc(Cn2c(N)c(C#N)c(-c3ccccc3)c2-c2ccccc2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
ADORA1 P30542 5/20 0.48
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
TSHR P16473 4/20 0.44
CYP2C19 P33261 4/20 0.44
HSD17B10 Q99714 3/20 0.44
USP2 O75604 3/20 0.44
CYP2C9 P11712 2/20 0.44
ADORA2B P29275 2/20 0.42
GLA P06280 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42

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
SCHEMBL3060767 0.82 HPGD (0.55) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL3052703 0.82 HPGD (0.55) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL13035840 0.77 PDE9A (0.55) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL8076484 0.75 AR (0.50) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL4850780 0.74 EGFR (0.45) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL13035842 0.70 EDNRB (0.48) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL29961535 0.70 ALDH1A1 (0.40) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL3481278 0.69 KCNA5 (0.54) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3622871 0.68 EDNRB (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL15018232 0.68 ALDH1A1 (0.49) ADORA2AADORA1ALDH1A1KMT2AMEN1

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-7358250-B2 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity AMGEN INC. (US) 2008-04-15 US disclosed
EP-1768982-A2 PYROLO [2,3-D] PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040965-A1 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity AMGEN INC. 2006-02-23 US disclosed
WO-2006004703-A2 PYRROLO[2,3-d]PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY AMGEN INC. (US) 2006-01-12 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-20060040965-A1 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity LCK, ADCK1, DCK ADORA2A 1703/4885ADORA1 3163/4885ALDH1A1 4270/4885

“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.