SCHEMBL5113865

SCHEMBL5113865

Cc1sc2nc(Cl)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.54
CHRM4 P08173 3/20 0.49
POLB P06746 1/20 0.48
RAD52 P43351 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ESR1 P03372 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK4 Q9HAZ1 2/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
HPGD P15428 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
SCHEMBL7172475 0.96 ALDH1A1 (0.51) ALDH1A1MAPTCHRM4POLBRAD52
SCHEMBL5128957 0.94 CHRM4 (0.48) ALDH1A1MAPTCHRM4SMN1; SMN2GAA
SCHEMBL5118790 0.92 CHRM4 (0.47) ALDH1A1MAPTCHRM4POLBRAD52
SCHEMBL7173140 0.90 CHRM4 (0.45) ALDH1A1MAPTCHRM4SMN1; SMN2GAA
SCHEMBL7176321 0.88 CHRM4 (0.44) ALDH1A1MAPTCHRM4POLBRAD52
SCHEMBL5119073 0.85 CHRM4 (0.48) ALDH1A1MAPTCHRM4SMN1; SMN2ESR1
SCHEMBL5128673 0.84 GAA (0.50) ALDH1A1SMN1; SMN2GAARXFP1ESR1
SCHEMBL5129562 0.83 SMN1; SMN2 (0.47) ALDH1A1MAPTCHRM4POLBRAD52
SCHEMBL5122516 0.83 ESR1 (0.64) ALDH1A1MAPTCHRM4ESR1PDE5A
SCHEMBL5123014 0.83 PRKCI (0.58) ALDH1A1MAPTCHRM4POLBRAD52

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 10 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN disclosed
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
CN-1081638-C Thienopyrimidine compounds MERCK PATENT GMBH (DE) 2002-03-27 CN disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN 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 2997/4885CHRM4 4573/4885

“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.