SCHEMBL5129609

SCHEMBL5129609

O=[N+]([O-])c1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
METAP1 P53582 3/20 0.46
KMT2A Q03164 3/20 0.46
JAK2 O60674 1/20 0.46
PPP1CA P62136 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PDE5A O76074 5/20 0.42
GBA1 P04062 3/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
METAP2 P50579 2/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL7514681 0.95 ADORA2A (0.43) ADORA2AADORA1METAP1KMT2AJAK2
SCHEMBL5115469 0.91 PDE5A (0.48) ADORA2AADORA1KMT2ANPC1MAPT
SCHEMBL5129142 0.90 METAP1 (0.59) ADORA2AADORA1METAP1KMT2AJAK2
SCHEMBL5125302 0.86 GBA1 (0.60) KMT2ANPC1MAPTRAB9APDE5A
SCHEMBL7512034 0.85 METAP1 (0.53) ADORA2AADORA1METAP1KMT2AJAK2
SCHEMBL7618696 0.85 ADORA2A (0.36) ADORA2AADORA1KMT2ANPC1MAPT
SCHEMBL5128548 0.85 BCDIN3D (0.39) ADORA2AADORA1KMT2ANPC1MAPT
SCHEMBL5122520 0.85 KDM4E (0.58) ADORA2AADORA1KMT2ANPC1MAPT
SCHEMBL5128933 0.84 PDE5A (0.49) ADORA2AADORA1KMT2AMAPTPDE5A
SCHEMBL5118039 0.84 ADORA2A (0.51) ADORA2AADORA1METAP1KMT2AJAK2

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-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

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 ADORA2A 1406/4885ADORA1 1249/4885METAP1 954/4885

“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.