SCHEMBL5118041

SCHEMBL5118041

Cc1sc2nc(-c3ccccn3)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 5/20 0.44
CHRM4 P08173 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL5128968 0.94 ALDH1A1 (0.44) ALDH1A1MAPTHIF1ASMN1; SMN2MEN1
SCHEMBL5117152 0.91 HIF1A (0.43) ALDH1A1MAPTHIF1ACHRM4MEN1
SCHEMBL7617363 0.91 ALDH1A1 (0.46) ALDH1A1MAPTHIF1ACHRM4SMN1; SMN2
SCHEMBL5114901 0.88 ALDH1A1 (0.47) ALDH1A1MAPTCHRM4SMN1; SMN2POLB
SCHEMBL5124656 0.86 ALDH1A1 (0.43) ALDH1A1MAPTHIF1ACHRM4SMN1; SMN2
SCHEMBL5127817 0.86 METAP1 (0.44) ALDH1A1MAPTHIF1ASMN1; SMN2POLB
SCHEMBL5123277 0.85 HIF1A (0.46) ALDH1A1MAPTHIF1ACHRM4MEN1
SCHEMBL5119994 0.85 HIF1A (0.45) ALDH1A1HIF1ASMN1; SMN2MEN1NPC1
SCHEMBL5124391 0.84 MEN1 (0.45) ALDH1A1MAPTHIF1ACHRM4SMN1; SMN2
SCHEMBL5123014 0.84 PRKCI (0.58) ALDH1A1MAPTCHRM4SMN1; SMN2POLB

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 ALDH1A1 1055/4885MAPT 2997/4885HIF1A 2022/4885

“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.