SCHEMBL5117152

SCHEMBL5117152

Cc1sc2nc(-c3ccccn3)nc(NCc3ccc4c(c3)OCCO4)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.43
CHRM4 P08173 2/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL5124656 0.95 ALDH1A1 (0.43) HIF1ACHRM4METAP2METAP1MEN1
SCHEMBL7614163 0.91 METAP1 (0.49) HIF1AMETAP2METAP1NPC1KMT2A
SCHEMBL5118041 0.91 ALDH1A1 (0.48) HIF1ACHRM4NPC1MEN1KMT2A
SCHEMBL5121690 0.89 CHRM4 (0.41) CHRM4CLK1CLK2DYRK1ACLK4
SCHEMBL5121313 0.87 HIF1A (0.45) HIF1AMETAP2METAP1NPC1MEN1
SCHEMBL5128232 0.86 METAP1 (0.49) HIF1ACHRM4METAP2METAP1NPC1
SCHEMBL5814433 0.86 CHRM4 (0.39) CHRM4CLK1CLK2DYRK1ACLK4
SCHEMBL5128968 0.86 ALDH1A1 (0.44) HIF1AMEN1KMT2APDE5AALDH1A1
SCHEMBL5115928 0.85 PRKCI (0.46) CHRM4CLK1CLK2DYRK1ACLK4
SCHEMBL5122140 0.84 MEN1 (0.55) HIF1AMETAP2METAP1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 HIF1A 2022/4885CHRM4 4573/4885METAP2 860/4885

“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.