SCHEMBL4428749

SCHEMBL4428749

O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 2/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4431573 0.86 MEN1 (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL31692132 0.86 TSHR (0.47) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL30274155 0.81 POLB (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1425482 0.81 HPGD (0.58) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL4428794 0.80 LMNA (0.53) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL23728205 0.78 HPGD (0.54) ALDH1A1TSHRHPGDLMNASMN1; SMN2
SCHEMBL5325263 0.78 CYP2C9 (0.49) ALDH1A1TSHRLMNACYP1A2CYP3A4
SCHEMBL7131786 0.77 TSHR (0.62) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL3568406 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL922442 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 ALDH1A1 3032/4885TSHR 4602/4885HPGD 1033/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 ALDH1A1 2564/4885TSHR 4626/4885HPGD 1006/4885

“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.