SCHEMBL4065036

SCHEMBL4065036

COc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TYK2 P29597 1/20 0.39
EGFR P00533 8/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 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
SCHEMBL4068501 0.91 NPC1 (0.39) MAP3K8KCNH2NPC1RAB9ATYK2
SCHEMBL3927882 0.90 EGFR (0.46) MAP3K8NPC1RAB9ATYK2EGFR
SCHEMBL4073603 0.89 STK17B (0.46) NPC1RAB9ATYK2EGFRTUBB4A
SCHEMBL4069292 0.89 EGFR (0.40) MAP3K8NPC1RAB9ATYK2EGFR
SCHEMBL4068409 0.88 TYK2 (0.53) MAP3K8NPC1RAB9ATYK2EGFR
SCHEMBL4073363 0.88 NPC1 (0.43) NPC1RAB9ATYK2EGFRTUBB4A
SCHEMBL3937751 0.88 NPC1 (0.46) MAP3K8KCNH2NPC1RAB9ATYK2
SCHEMBL3936128 0.88 NPC1 (0.43) NPC1RAB9ATYK2EGFRTUBB4A
SCHEMBL4071998 0.88 NPC1 (0.40) NPC1RAB9ATYK2EGFRTUBB4A
SCHEMBL3939022 0.88 NPC1 (0.45) MAP3K8NPC1RAB9ATYK2EGFR

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-20090042913-A1 Indolylalkylthienopyrimidylamines as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2009-02-12 US 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
US-20090042913-A1 Indolylalkylthienopyrimidylamines as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2009-02-12 US 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 MAP3K8 1818/4885KCNH2 851/4885NPC1 2246/4885

“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.