SCHEMBL5118039

SCHEMBL5118039

Cc1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
METAP1 P53582 3/20 0.50
JAK2 O60674 1/20 0.50
PPP1CA P62136 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
METAP2 P50579 2/20 0.47
GBA1 P04062 6/20 0.46
PDE5A O76074 3/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 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
SCHEMBL31044921 0.94 ADORA2A (0.49) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5117720 0.90 ADORA2A (0.53) ADORA2AADORA1KMT2ATDP1GBA1
SCHEMBL5115396 0.89 ADORA2A (0.55) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5125720 0.89 METAP1 (0.65) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5122201 0.88 ADORA2A (0.51) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5127490 0.85 ADORA2A (0.48) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5121366 0.84 GBA1 (0.66) KMT2ATDP1GBA1PDE5AKDM4E
SCHEMBL5129609 0.84 ADORA2A (0.47) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL7620678 0.83 NPC1 (0.40) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5122086 0.83 BCDIN3D (0.43) ADORA2AADORA1PDE5AKDM4ENPC1

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 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.