SCHEMBL5115725

SCHEMBL5115725

Cc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccccn3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
PDE5A O76074 1/20 0.47
USP1 O94782 2/20 0.47
WDR48 Q8TAF3 2/20 0.47
HIF1A Q16665 8/20 0.46
METAP1 P53582 3/20 0.42
METAP2 P50579 2/20 0.42
GPR39 O43194 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40
JAK2 O60674 1/20 0.40
PPP1CA P62136 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5128983 0.90 KMT2A (0.50) KMT2AMEN1NPC1PDE5AUSP1
SCHEMBL5113662 0.90 PDE5A (0.47) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5122329 0.89 ICAM1 (0.48) KMT2AMEN1NPC1PDE5AUSP1
SCHEMBL5122691 0.87 KMT2A (0.63) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5128521 0.87 ADORA2A (0.49) USP1WDR48ADORA2AADORA1
SCHEMBL5115640 0.87 MEN1 (0.54) KMT2AMEN1NPC1PDE5AUSP1
SCHEMBL5123197 0.85 USP1 (0.54) KMT2AMEN1NPC1PDE5AUSP1
SCHEMBL5124391 0.85 MEN1 (0.45) KMT2AMEN1NPC1PDE5AUSP1
SCHEMBL5130006 0.84 MEN1 (0.52) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5815313 0.84 HIF1A (0.41) KMT2AMEN1NPC1PDE5AUSP1

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 3 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

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

“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.