SCHEMBL4940329

SCHEMBL4940329

Cc1ccn2nc(C)c(C(N)=O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.42
▸ PIM1 P11309 5/20 0.42
▸ ACVR1 Q04771 2/20 0.40
▸ HTR6 P50406 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ TGFBR1 P36897 2/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ PKMYT1 Q99640 2/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ MYT1 Q01538 1/20 0.34

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
SCHEMBL18208948 0.85 POLB (0.42) HTR6POLBPTGS2
SCHEMBL17883350 0.77 HTR6 (0.38) HTR6TGFBR1PARP1PTGS2NOS1
SCHEMBL15307034 0.76 HTR6 (0.40) HTR6POLBPTGS2
SCHEMBL22102607 0.74 NTRK1 (0.51) NTRK1PIM1ACVR1PARP1
SCHEMBL23047161 0.73 PDE10A (0.44) HTR6PTGS2
SCHEMBL29768071 0.72 IRAK4 (0.46) PARP1PKMYT1
SCHEMBL13355648 0.71 TGFBR1 (0.57) NTRK1TGFBR1PARP1
SCHEMBL17867596 0.71 NTRK1 (0.39) NTRK1PIM1ACVR1POLBTGFBR1
SCHEMBL18122086 0.70 HTR6 (0.43) HTR6PTGS2
SCHEMBL22878396 0.70 MEN1 (0.33) NTRK1PIM1ACVR1POLB

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 — — 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-20080221129-A1 New compounds SCD, SCD5, FASN NTRK1 3602/4885PIM1 3219/4885ACVR1 2515/4885

“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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