SCHEMBL12242103

SCHEMBL12242103

O=C(Nc1ccnc(N2CCC2)c1)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MTOR P42345 1/20 0.41
▸ SMG1 Q96Q15 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL12242041 0.87 JAK2 (0.41) LMNAHSD17B10TSHRKDM4ESMN1; SMN2
SCHEMBL12242029 0.87 PDE4A (0.41) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL12242080 0.86 SMN1; SMN2 (0.46) LMNAHSD17B10TSHRKDM4EUSP2
SCHEMBL13362541 0.85 KMO (0.40) LMNAKDM4EALDH1A1KMO
SCHEMBL12242027 0.85 KDM4E (0.38) LMNAHSD17B10TSHRKDM4EUSP2
SCHEMBL13362482 0.85 CNR1 (0.39) LMNAHSD17B10TSHRKDM4ESMN1; SMN2
SCHEMBL12242105 0.85 CNR1 (0.40) LMNAHSD17B10TSHRKDM4EUSP2
SCHEMBL12242019 0.84 DYRK1A (0.48) LMNAHSD17B10TSHRKDM4ESMN1; SMN2
SCHEMBL12242026 0.83 MTOR (0.40) LMNAMTORSMG1RAF1BRAF
SCHEMBL12242021 0.83 LMNA (0.39) LMNAHSD17B10TSHRKDM4ESMN1; 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 LMNA 3601/4885HSD17B10 2484/4885TSHR 2438/4885

“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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