SCHEMBL7116760

SCHEMBL7116760

CCOC(=O)Cc1csc(NC(=O)CN2CCC3(CC2)CCN(c2ccncc2)C3)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ POLB P06746 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL7008324 0.88 ITGB3 (0.52) —
SCHEMBL8350094 0.81 POLB (0.59) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8350533 0.79 POLB (0.57) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8353674 0.77 MAPT (0.61) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8358497 0.75 GAA (0.56) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8350476 0.75 ALDH1A1 (0.63) GAAPOLBKMT2AMEN1ESR2
Acetic Acid SCHEMBL8508080 0.75 MAPT (0.59) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8350048 0.75 SMN1; SMN2 (0.59) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8353740 0.75 ALDH1A1 (0.53) GAAPOLBKMT2AMEN1ESR2
SCHEMBL8351239 0.75 MAPK1 (0.63) KMT2AMEN1LMNAMAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 — — 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB GAA 4196/4885POLB 3718/4885KMT2A 4716/4885

“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.

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