SCHEMBL5128232

SCHEMBL5128232

Cc1sc2nc(-c3ccccn3)nc(NCCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.49
METAP2 P50579 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.41
PPP1CA P62136 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE5A O76074 1/20 0.40
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ESR2 Q92731 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
SCHEMBL5815116 0.97 METAP1 (0.47) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL7614163 0.95 METAP1 (0.49) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5124656 0.91 ALDH1A1 (0.43) METAP1METAP2L3MBTL1KMT2APDE5A
SCHEMBL5127817 0.91 METAP1 (0.44) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5123210 0.89 PDE5A (0.39) METAP1METAP2KMT2AKDM4EADORA2A
SCHEMBL5809740 0.86 PDE5A (0.37) METAP1METAP2KMT2AKDM4EADORA2A
SCHEMBL5117152 0.86 HIF1A (0.43) METAP1METAP2KMT2APDE5AHIF1A
SCHEMBL7617363 0.86 ALDH1A1 (0.46) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5781591 0.85 PDE5A (0.40) KMT2ATDP1KDM4EADORA2AADORA1
SCHEMBL5124992 0.85 PRKCI (0.49) PDE5A

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 5 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
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 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 METAP1 954/4885METAP2 860/4885L3MBTL1 2278/4885

“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.