SCHEMBL1426475

SCHEMBL1426475

CCOC(=O)N1Cc2nc(N)nc(Oc3ccc(Cl)cc3Br)c2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.37
HSP90AA1 P07900 5/20 0.37
HSP90AB1 P08238 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
IDE P14735 1/20 0.36
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1425451 0.88 ALDH1A1 (0.40) SMN1; SMN2TSHRGAADPP4HSP90AA1
SCHEMBL1425623 0.86 ALDH1A1 (0.50) SMN1; SMN2TSHRGAAHSP90AA1HSP90AB1
SCHEMBL1425991 0.85 ALDH1A1 (0.42) SMN1; SMN2TSHRGAAALDH1A1KMT2A
SCHEMBL13394106 0.80 LMNA (0.45) TSHRHSP90AA1HSP90AB1ALDH1A1KMT2A
SCHEMBL1425564 0.79 KDM5A (0.39) SMN1; SMN2TSHRGAADPP4HSP90AA1
SCHEMBL1425628 0.77 HSP90AA1 (0.46) TSHRDPP4HSP90AA1HSP90AB1KMT2A
SCHEMBL1425765 0.77 HSP90AA1 (0.42) SMN1; SMN2TSHRDPP4HSP90AA1HSP90AB1
SCHEMBL1425516 0.76 ALDH1A1 (0.41) HSP90AA1HSP90AB1ALDH1A1KMT2AMAPT
SCHEMBL1425497 0.76 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1KMT2AMAPT
SCHEMBL13394107 0.76 MAPT (0.36) SMN1; SMN2GAAALDH1A1KMT2AMAPT

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
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 EP disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
WO-2008096218-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER INC. (US) 2008-08-14 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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 SMN1; SMN2 1828/4885TSHR 4610/4885GAA 2162/4885

“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.