SCHEMBL301182

SCHEMBL301182

CCNc1ncc(C)c(Nc2cccc(C(=O)OCC)c2C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 1/20 0.47
AURKA O14965 2/20 0.46
SIRT5 Q9NXA8 7/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
SLC26A6 Q9BXS9 1/20 0.43
TP53 P04637 1/20 0.43
CDKN1A P38936 1/20 0.43
PKMYT1 Q99640 1/20 0.43
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL17916012 0.90 AURKA (0.47) NPSR1RAB9AAURKASIRT5MAPT
SCHEMBL270260 0.87 AURKA (0.45) NPSR1RAB9AAURKASIRT5MAPT
SCHEMBL764443 0.87 SYK (0.54) AURKAPKMYT1SYK
SCHEMBL301971 0.81 TP53 (0.43) RAB9AAURKAMAPTSMN1; SMN2TP53
SCHEMBL10261580 0.81 EGFR (0.45) AURKAALDH1A1PKMYT1SYK
SCHEMBL265964 0.79 BRD4 (0.62)
SCHEMBL763239 0.76 SYK (0.39) AURKAALDH1A1PKMYT1SYKMEN1
SCHEMBL301184 0.75 DHODH (0.46) SYK
SCHEMBL1203237 0.75 METTL3 (0.56) AURKAMAPTSMN1; SMN2ALDH1A1CDC25A
SCHEMBL764133 0.74 ULK1 (0.51) AURKAMAPTSMN1; SMN2ALDH1A1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 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 (4 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK NPSR1 1040/4885RAB9A 2095/4885AURKA 745/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 NPSR1 2280/4885RAB9A 2207/4885AURKA 75/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 NPSR1 2280/4885RAB9A 2207/4885AURKA 75/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B NPSR1 4032/4885RAB9A 3742/4885AURKA 3934/4885

“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.