SCHEMBL13434853

SCHEMBL13434853

NC(=O)c1ccc(Nc2ncnc3ccsc23)c(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.40
FLT3 P36888 2/20 0.40
CCNA1 P78396 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK6 Q00534 1/20 0.40
EGFR P00533 2/20 0.39
FADS1 O60427 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
BRAF P15056 1/20 0.39
TNNI3K Q59H18 1/20 0.39
NTRK1 P04629 2/20 0.39
FLT1 P17948 2/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
AURKA O14965 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL3799648 0.84 NPC1 (0.47) CDK2FLT3CCNA1CDK4CCND1
SCHEMBL13434862 0.82 NPC1 (0.48) IRAK4BRAFALDH1A1PKMKDM4E
SCHEMBL13434917 0.80 CAMKK1 (0.47) CDK2FLT3CCNA1IRAK4CDK4
SCHEMBL13434842 0.77 MKNK2 (0.44) IRAK4EGFRFADS1BRAFTNNI3K
SCHEMBL3801695 0.77 MKNK2 (0.45) CDK2FLT3CCNA1BRAFPIP4K2C
SCHEMBL13434841 0.76 MKNK2 (0.57) EGFRFADS1BRAFTNNI3KPIP4K2C
SCHEMBL3801106 0.75 MKNK2 (0.54) CDK2FLT3CCNA1PIP4K2CALDH1A1
SCHEMBL29808582 0.75 PIP4K2C (0.61) CDK2IRAK4EGFRFADS1NTRK1
SCHEMBL13434848 0.75 PIP4K2C (0.61) CDK2IRAK4EGFRFADS1NTRK1
SCHEMBL13434852 0.75 MKNK2 (0.48) BRAFTNNI3KPIP4K2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
WO-2007115822-A1 THIENOPYRIMIDINES HAVING MNKL /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-10-18 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-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK9 CDK2 192/4885FLT3 1415/4885CCNA1 1243/4885

“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.