SCHEMBL4294156

SCHEMBL4294156

Nc1ccc(CN2CCC(O)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ LTA4H P09960 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PDCD1 Q15116 6/20 0.39
▸ CD274 Q9NZQ7 6/20 0.39
▸ S1PR1 P21453 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL17403597 0.84 CHRM2 (0.41) CHRM2CHRM1CHRM3LTA4HTLR7
SCHEMBL15974982 0.79 LTA4H (0.40) CHRM2CHRM1CHRM3LTA4HPDCD1
SCHEMBL15974983 0.79 LTA4H (0.40) CHRM2CHRM1CHRM3LTA4HPDCD1
SCHEMBL13460128 0.79 MAP4K4 (0.41) CHRM2CHRM1CHRM3LTA4HTLR7
SCHEMBL13460106 0.79 MAP4K4 (0.41) CHRM2CHRM1CHRM3LTA4HTLR7
SCHEMBL3402167 0.78 S1PR1 (0.47) LTA4HALDH1A1PDCD1CD274S1PR1
SCHEMBL28045437 0.78 ALDH1A1 (0.44) CHRM2CHRM1CHRM3ALDH1A1PDCD1
SCHEMBL28045438 0.78 ALDH1A1 (0.44) CHRM2CHRM1CHRM3ALDH1A1PDCD1
SCHEMBL6234696 0.77 MAPT (0.41) LTA4HALDH1A1S1PR1
SCHEMBL3935123 0.76 ALDH1A1 (0.57) LTA4HALDH1A1

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 — — CN disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CHRM2 4711/4885CHRM1 4279/4885CHRM3 4623/4885

“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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