SCHEMBL1840172

SCHEMBL1840172

Nc1cc(-c2ccnc3[nH]c(-c4cccc(CO)c4)cc23)ccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHUK O15111 4/20 0.56
INSR P06213 4/20 0.56
MAPK8 P45983 4/20 0.56
CAMKK2 Q96RR4 4/20 0.56
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
NUDT1 P36639 2/20 0.49
CSF1R P07333 3/20 0.44
EGFR P00533 4/20 0.43
CDC7 O00311 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
PRKCI P41743 1/20 0.41
RIPK1 Q13546 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL1838178 0.85 CDC7 (0.51) CHUKINSRMAPK8CAMKK2AURKA
SCHEMBL1838419 0.85 CDC7 (0.47) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL1839153 0.82 MAPK8 (0.49) CHUKINSRMAPK8CAMKK2AURKA
SCHEMBL1840648 0.79 CHUK (0.60) CHUKINSRMAPK8CAMKK2NUDT1
SCHEMBL1841792 0.78 EGFR (0.53) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL1777772 0.75 CCNB2 (0.67) PRKCIRIPK1
SCHEMBL1841326 0.74 AURKA (0.48) CHUKINSRMAPK8CAMKK2AURKA
SCHEMBL4312284 0.74 AURKA (0.64) AURKAAURKBINCENPTPX2
SCHEMBL1836679 0.74 PIK3CD (0.46) CHUKINSRMAPK8CAMKK2NUDT1
SCHEMBL856851 0.73 IKBKB (0.66) CHUKMAPK8AURKBNUDT1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011526931-A 2011-10-20 JP claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US claimed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP claimed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 CHUK 163/4885INSR 2079/4885MAPK8 282/4885

“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.