SCHEMBL5115046

SCHEMBL5115046

O=[N+]([O-])c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccccn3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE5A O76074 2/20 0.44
USP1 O94782 3/20 0.44
WDR48 Q8TAF3 3/20 0.44
HIF1A Q16665 6/20 0.40
TAOK1 Q7L7X3 1/20 0.39
RAB9A P51151 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
JAK2 O60674 1/20 0.37
METAP1 P53582 1/20 0.37
PPP1CA P62136 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5127487 0.90 PDE5A (0.47) PDE5A
SCHEMBL5129474 0.89 KMT2A (0.57) NPC1KMT2AMEN1PDE5AUSP1
SCHEMBL5128902 0.88 ADORA2A (0.43) NPC1KMT2AMEN1PDE5AUSP1
SCHEMBL5121679 0.88 MEN1 (0.49) NPC1KMT2AMEN1PDE5AUSP1
SCHEMBL5122316 0.86 PDE5A (0.53) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL5128646 0.86 MEN1 (0.42) NPC1KMT2AMEN1PDE5AUSP1
SCHEMBL5128983 0.86 KMT2A (0.50) NPC1KMT2AMEN1PDE5AUSP1
SCHEMBL7513993 0.85 PDE5A (0.41) NPC1KMT2AMEN1PDE5AUSP1
SCHEMBL5121441 0.85 MEN1 (0.47) NPC1KMT2AMEN1PDE5ARAB9A
SCHEMBL5128928 0.84 USP1 (0.47) NPC1KMT2AMEN1PDE5AUSP1

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 NPC1 4863/4885KMT2A 388/4885MEN1 696/4885

“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.