SCHEMBL4008652

SCHEMBL4008652

CNC(=O)c1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(C)cccc45)c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FLT1 P17948 4/20 0.40
TYK2 P29597 1/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
EGFR P00533 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FDPS P14324 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3939158 0.87 FLT1 (0.48) NPC1RAB9AFLT1TYK2MAPT
SCHEMBL4068884 0.86 TYK2 (0.53) NPC1RAB9AFLT1TYK2MAPT
SCHEMBL13960063 0.85 NPC1 (0.44) NPC1RAB9AFLT1TYK2MAPT
SCHEMBL4068974 0.85 NPC1 (0.43) CDK1NPC1RAB9AFLT1TYK2
SCHEMBL4076235 0.85 MAP3K8 (0.43) NPC1RAB9AFLT1TYK2MAPT
SCHEMBL4007903 0.84 STK17B (0.42) CDK1NPC1RAB9AFLT1TYK2
SCHEMBL3929417 0.84 STK17B (0.51) NPC1RAB9AFLT1EGFRALDH1A1
SCHEMBL3931001 0.83 IKBKB (0.42) NPC1RAB9AFLT1TYK2EGFR
SCHEMBL4069817 0.81 CYP1A2 (0.46) FLT1MAPTEGFRMEN1KMT2A
SCHEMBL4070386 0.78 PDPK1 (0.51) NPC1RAB9AFLT1MAPTPOLB

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-20090042913-A1 Indolylalkylthienopyrimidylamines as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2009-02-12 US claimed
EP-2014662-A1 Indolyl alkyl thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP claimed
US-20090042913-A1 Indolylalkylthienopyrimidylamines as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2009-02-12 US disclosed
US-20090042913-A1 Indolylalkylthienopyrimidylamines as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2009-02-12 US disclosed
WO-2009007421-A1 INDOLYLALKYLTHIENOPYRIMIDYLAMINES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
EP-2014662-A1 Indolyl alkyl thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP 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-20090042913-A1 Indolylalkylthienopyrimidylamines as modulators of the EP2 receptor PTGER2, PTGER1, PTGDR2 CDK1 2619/4885NPC1 2246/4885RAB9A 3318/4885

“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.