SCHEMBL2489912

SCHEMBL2489912

CC1COCCN1c1cc(CI)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.45
PIK3CA P42336 7/20 0.43
PIK3CD O00329 4/20 0.43
PDCD1 Q15116 6/20 0.41
CD274 Q9NZQ7 6/20 0.41
CHEK1 O14757 5/20 0.41
ATRIP Q8WXE1 5/20 0.41
MTOR P42345 4/20 0.41
PIK3C3 Q8NEB9 1/20 0.39
PIK3R1 P27986 1/20 0.39
PDE4D Q08499 2/20 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
SCHEMBL737939 1.00 ATR (0.45) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL2489911 1.00 ATR (0.45) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9978858 0.88 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL3931913 0.88 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9978856 0.88 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL738609 0.87 PIK3CA (0.47) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979386 0.87 PIK3CA (0.47) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979390 0.87 PIK3CA (0.47) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979222 0.85 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274
SCHEMBL9979218 0.85 ATR (0.46) ATRPIK3CAPIK3CDPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421213-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-08-23 US disclosed
US-20160074412-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-03-17 US disclosed
US-9155742-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
US-20150164908-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-8999997-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-07 US disclosed
EP-2579877-B1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2014-08-13 EP disclosed
US-20140018364-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-01-16 US disclosed
US-8552004-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-10-08 US disclosed
EP-2579877-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2013-04-17 EP disclosed
US-20130005725-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-8252802-B2 Chemical compounds ASTRAZENECA AB (SE) 2012-08-28 US disclosed
CN-102325764-A Pyrimidine indole derivatives for the treatment of cancer ASTRAZENECA AB 2012-01-18 CN disclosed
WO-2011154737-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-15 WO disclosed
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 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 (6 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-20150164908-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ATR 2609/4885PIK3CA 1056/4885PIK3CD 2216/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885PIK3CA 1056/4885PIK3CD 2216/4885
US-20160074412-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ATR 2609/4885PIK3CA 1056/4885PIK3CD 2216/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885PIK3CA 1056/4885PIK3CD 2216/4885
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ATR 2253/4885PIK3CA 1564/4885PIK3CD 2358/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ATR 2609/4885PIK3CA 1056/4885PIK3CD 2216/4885

“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.