SCHEMBL2818636

SCHEMBL2818636

CCC(CO)Nc1nc(Cl)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39
TP53 P04637 1/20 0.37
CRHR1 P34998 3/20 0.36
FYN P06241 2/20 0.36
CDK1 P06493 4/20 0.36
KDR P35968 4/20 0.36
CA2 P00918 3/20 0.36
CDK2 P24941 3/20 0.36
CDK9 P50750 3/20 0.36

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
SCHEMBL2818634 1.00 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL14367850 1.00 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL4188946 0.91 MEN1 (0.49) MEN1KMT2AALDH1A1LATS1LATS2
SCHEMBL13649001 0.91 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL13649035 0.86 MEN1 (0.40) MEN1KMT2AKDM4EMAPTCDK1
SCHEMBL14355520 0.86 MEN1 (0.40) MEN1KMT2AKDM4EMAPTCDK1
SCHEMBL1937589 0.85 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL13649023 0.85 MEN1 (0.40) MEN1KMT2ACRHR1CDK1KDR
SCHEMBL28723217 0.84 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL29607551 0.84 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed
US-20040063737-A1 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2004-04-01 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 (2 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-20040063737-A1 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents CDK2, CDK6, CDKL2 MEN1 3196/4885KMT2A 634/4885KDM4E 694/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR MEN1 3313/4885KMT2A 4091/4885KDM4E 3039/4885

“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.