SCHEMBL5124140

SCHEMBL5124140

Cc1sc2nc(-c3ccno3)nc(NCCc3ccccc3)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
PRKCI P41743 2/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
APP P05067 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
SCHEMBL5119781 0.90 PRKCI (0.48) PRKCILMNAHTTSMN1; SMN2
SCHEMBL5126030 0.90 PRKCI (0.38) PRKCILMNASMN1; SMN2ADORA3ADORA2A
SCHEMBL7611849 0.84 MAPT (0.38) PRKCILMNAHTTSMN1; SMN2
SCHEMBL5119049 0.84 PDE5A (0.39) LMNAHTTSMN1; SMN2ADORA2AADORA1
SCHEMBL5122356 0.82 PRKCI (0.60) METAP2METAP1PRKCIHTT
SCHEMBL5129364 0.82 HTT (0.43) METAP2METAP1PRKCIHTTSMN1; SMN2
SCHEMBL5126310 0.82 CHRM4 (0.41) PRKCILMNAHTTSMN1; SMN2
SCHEMBL5115274 0.82 METAP1 (0.68) METAP2METAP1PRKCIADORA2AADORA1
SCHEMBL5816198 0.81 FAAH (0.38) LMNAHTTSMN1; SMN2ADORA2AADORA1
SCHEMBL5122881 0.80 GBA1 (0.58) METAP2METAP1PRKCILMNASMN1; SMN2

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 METAP2 860/4885METAP1 954/4885PRKCI 1513/4885

“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.