SCHEMBL5114901

SCHEMBL5114901

Cc1sc2nc(-c3cnccn3)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
CHRM4 P08173 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PRKCI P41743 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BRAF P15056 1/20 0.38
CLK4 Q9HAZ1 2/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 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
SCHEMBL7515097 0.95 ALDH1A1 (0.43) ALDH1A1MAPTCHRM4SMN1; SMN2POLB
SCHEMBL5120075 0.95 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7622357 0.91 ALDH1A1 (0.46) ALDH1A1MAPTCHRM4SMN1; SMN2POLB
SCHEMBL5121690 0.91 CHRM4 (0.41) ALDH1A1MAPTCHRM4SMN1; SMN2NPSR1
SCHEMBL7509747 0.90 MAPT (0.42) ALDH1A1MAPTCHRM4SMN1; SMN2KDM4E
SCHEMBL5118041 0.88 ALDH1A1 (0.48) ALDH1A1MAPTCHRM4SMN1; SMN2POLB
SCHEMBL5814433 0.88 CHRM4 (0.39) ALDH1A1MAPTCHRM4NPSR1ADORA2A
SCHEMBL5114007 0.86 PRKCI (0.43) ALDH1A1MAPTSMN1; SMN2POLBRAD52
SCHEMBL5121202 0.86 MAPT (0.44) ALDH1A1MAPTCHRM4SMN1; SMN2KDM4E
SCHEMBL5116088 0.86 MAPT (0.56) 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 4 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

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.