SCHEMBL5115274

SCHEMBL5115274

Cc1sc2nc(-c3ccccn3)nc(NCCc3ccccc3)c2c1Cl

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 10/20 0.68
METAP2 P50579 4/20 0.68
KMT2A Q03164 2/20 0.56
JAK2 O60674 1/20 0.56
PPP1CA P62136 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HIF1A Q16665 1/20 0.52
PRKCI P41743 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL5122140 0.89 MEN1 (0.55) METAP1METAP2KMT2AHIF1AMEN1
SCHEMBL5123688 0.89 METAP1 (0.61) METAP1METAP2KMT2AJAK2PPP1CA
SCHEMBL5124002 0.89 METAP1 (0.53) METAP1METAP2KMT2AJAK2PPP1CA
SCHEMBL7614163 0.85 METAP1 (0.49) METAP1METAP2KMT2AJAK2PPP1CA
SCHEMBL5128232 0.85 METAP1 (0.49) METAP1METAP2KMT2AJAK2PPP1CA
SCHEMBL5122356 0.84 PRKCI (0.60) METAP1METAP2PRKCIPDE5A
SCHEMBL5129063 0.82 MEN1 (0.47) METAP1METAP2KMT2AHIF1AMEN1
SCHEMBL5815116 0.82 METAP1 (0.47) METAP1METAP2KMT2AJAK2PPP1CA
SCHEMBL5124140 0.82 METAP2 (0.44) METAP1METAP2PRKCIADORA2AADORA1
SCHEMBL5122881 0.82 GBA1 (0.58) METAP1METAP2KMT2AL3MBTL1PRKCI

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 METAP1 954/4885METAP2 860/4885KMT2A 388/4885

“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.