SCHEMBL2749781

SCHEMBL2749781

Nc1ncc(-c2ccc(OCC(=O)NCC3CCCCC3)cc2)cc1-c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 8/20 0.45
▸ TP53 P04637 7/20 0.45
▸ RXFP1 Q9HBX9 5/20 0.44
▸ POLB P06746 2/20 0.44
▸ BACE1 P56817 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL2749735 0.85 MAPT (0.44) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2748902 0.84 RXFP1 (0.49) SMN1; SMN2LMNAMAPTTP53RXFP1
SCHEMBL2749713 0.84 MAPT (0.52) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2748931 0.82 MAP4K4 (0.59) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2749811 0.80 TP53 (0.61) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2749498 0.80 KDM4E (0.55) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2749468 0.79 TP53 (0.47) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2748650 0.78 MAPT (0.47) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2747968 0.76 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL2750445 0.75 TP53 (0.61) SMN1; SMN2LMNAALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 — — US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 — — WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 — — 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 CNR1 4351/4885SMN1; SMN2 763/4885LMNA 3582/4885

“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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