SCHEMBL4895388

SCHEMBL4895388

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(-n5ccnc5)cc4)n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.52
IKBKB O14920 1/20 0.52
CDK2 P24941 6/20 0.50
CDK1 P06493 4/20 0.50
AURKA O14965 3/20 0.50
CDK4 P11802 3/20 0.50
CDK7 P50613 3/20 0.50
CDK9 P50750 3/20 0.50
AURKB Q96GD4 3/20 0.50
JAK3 P52333 2/20 0.50
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
IGF1R P08069 1/20 0.49
FLT3 P36888 6/20 0.48

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
SCHEMBL8205109 0.85 CDK2 (0.55) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL8215036 0.85 MKNK1 (0.54) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL8312330 0.84 JAK2 (0.52) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL4062587 0.84 PLK4 (0.55) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL14020993 0.84 PIK3CA (0.55) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL1512786 0.84 PIK3CA (0.55) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL8307949 0.84 MAPK8 (0.63) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL8314274 0.84 JAK2 (0.72) JAK2CDK2CDK9JAK3HDAC3
SCHEMBL14063804 0.83 CDK2 (0.51) JAK2IKBKBCDK2CDK1AURKA
SCHEMBL8315359 0.83 CDK2 (0.55) JAK2IKBKBCDK2CDK1AURKA

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
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP JAK2 1695/4885IKBKB 875/4885CDK2 363/4885

“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.