SCHEMBL5127490

SCHEMBL5127490

FC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
METAP1 P53582 3/20 0.47
JAK2 O60674 1/20 0.47
PPP1CA P62136 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GBA1 P04062 7/20 0.44
PDE5A O76074 3/20 0.44
METAP2 P50579 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HIF1A Q16665 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5122873 0.90 ADORA2A (0.50) ADORA2AADORA1KMT2AGBA1PDE5A
SCHEMBL5125050 0.89 METAP1 (0.61) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5115396 0.86 ADORA2A (0.55) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5118547 0.85 GBA1 (0.62) KMT2AGBA1PDE5AMAPK1USP2
SCHEMBL5122201 0.85 ADORA2A (0.51) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5118039 0.85 ADORA2A (0.51) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL7620466 0.84 ADORA2A (0.37) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5122288 0.84 FLT1 (0.41) ADORA2AADORA1PDE5AKDM4ECYP1A2
SCHEMBL5123744 0.84 KDM4E (0.60) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5124010 0.82 KDM4E (0.44) ADORA2AADORA1KMT2APDE5AKDM4E

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 4 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-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.