SCHEMBL5129164

SCHEMBL5129164

FC(F)(F)c1cc2c(Cl)nc(-c3ccncc3)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 6/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL31045172 0.86 FLT3 (0.36) ADORA1ADORA2ANPC1RAB9AMAPT
SCHEMBL5128671 0.84 ALDH1A1 (0.48) ADORA1ADORA2ANPC1RAB9AMAPT
SCHEMBL8335829 0.82 RXRA (0.40) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL5123556 0.81 ADORA2A (0.42) PRKCIADORA1ADORA2ANPC1RAB9A
SCHEMBL5124885 0.78 NOTUM (0.33) ALDH1A1MEN1KMT2A
SCHEMBL5118573 0.78 PRKCI (0.41) PRKCIADORA1ADORA2ANPC1RAB9A
SCHEMBL8178896 0.78 MAPT (0.41) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL5114971 0.78 PRKCI (0.61) PRKCIADORA1ADORA2ANPC1RAB9A
SCHEMBL31044971 0.77 METAP1 (0.51) ADORA1ADORA2ANPC1RAB9AALDH1A1
SCHEMBL5116041 0.77 ADORA2A (0.41) ADORA1ADORA2ANPC1RAB9A

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 PRKCI 1513/4885ADORA1 1249/4885ADORA2A 1406/4885

“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.