SCHEMBL5113873

SCHEMBL5113873

Cc1sc2nc(-c3cnccn3)nc(NCc3ccccc3)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
PRKCI P41743 4/20 0.47
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PDE5A O76074 1/20 0.42
HPGD P15428 1/20 0.42
PLA2G1B P04054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5114966 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL5115192 0.90 PRKCI (0.50) SMN1; SMN2ADORA2AADORA1ALDH1A1LMNA
SCHEMBL5122690 0.90 ADORA2A (0.46) SMN1; SMN2ADORA2AADORA1ALDH1A1LMNA
SCHEMBL5127731 0.88 MEN1 (0.57) SMN1; SMN2ALDH1A1KDM4ELMNAPRKCI
SCHEMBL5130359 0.85 ADORA2A (0.51) SMN1; SMN2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL5122637 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ADORA2AADORA1ALDH1A1PRKCI
SCHEMBL5123719 0.84 PDE5A (0.58) SMN1; SMN2ALDH1A1KDM4ELMNAPRKCI
SCHEMBL5128670 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL5118982 0.83 ESR1 (0.47) SMN1; SMN2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL5119678 0.82 PRKCI (0.68) SMN1; SMN2ADORA2AADORA1ALDH1A1KDM4E

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 8 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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US 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-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 SMN1; SMN2 3222/4885ADORA2A 1406/4885ADORA1 1249/4885

“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.