SCHEMBL5116027

SCHEMBL5116027

FC(F)(F)c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.47
WDR48 Q8TAF3 2/20 0.47
METAP1 P53582 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
JAK2 O60674 1/20 0.45
PPP1CA P62136 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
METAP2 P50579 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TGFBR1 P36897 1/20 0.39
TGFBR2 P37173 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 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
SCHEMBL7611579 0.95 METAP1 (0.45) USP1WDR48METAP1L3MBTL1JAK2
SCHEMBL5130868 0.91 USP1 (0.56) USP1WDR48L3MBTL1KMT2AKDM4E
SCHEMBL5122288 0.89 FLT1 (0.41) USP1WDR48FLT1KDRKDM4E
SCHEMBL5129614 0.89 METAP1 (0.47) USP1WDR48METAP1L3MBTL1JAK2
SCHEMBL5129787 0.87 METAP1 (0.47) USP1WDR48METAP1L3MBTL1JAK2
SCHEMBL5124964 0.87 METAP1 (0.47) USP1WDR48METAP1L3MBTL1JAK2
SCHEMBL5128755 0.86 USP1 (0.50) USP1WDR48L3MBTL1KMT2ATDP1
SCHEMBL5125050 0.86 METAP1 (0.61) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL5120472 0.85 PRKCI (0.48) USP1WDR48FLT1KDRKDM4E
SCHEMBL5780482 0.85 USP1 (0.43) USP1WDR48KMT2AFLT1KDR

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 USP1 2251/4885WDR48 1634/4885METAP1 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.