SCHEMBL12242073

SCHEMBL12242073

O=C(Nc1cccnc1)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ F2R P25116 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CSF1R P07333 3/20 0.41
▸ KIT P10721 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ LMNA P02545 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
SCHEMBL12242080 0.90 SMN1; SMN2 (0.46) SMN1; SMN2TSHRF2RKDRMAPK14
SCHEMBL12242085 0.88 ALOX15 (0.48) SMN1; SMN2TSHRABL1KDRMAPK14
SCHEMBL12242089 0.85 KMO (0.43) SMN1; SMN2TSHRLMNAHSD17B10AURKA
SCHEMBL12242090 0.83 MPL (0.46) SMN1; SMN2KDRMAPK14BRAFAURKA
SCHEMBL12242068 0.83 KMO (0.41) SMN1; SMN2TSHRTRPM8KDRMAPK14
SCHEMBL12242049 0.82 EGFR (0.42) SMN1; SMN2KDRAURKA
SCHEMBL12242103 0.82 LMNA (0.44) SMN1; SMN2MEN1KMT2ATSHRLMNA
SCHEMBL12242091 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ATSHRMAPK14
SCHEMBL2305347 0.81 KMO (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL12242066 0.81 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2A

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 SMN1; SMN2 2318/4885HTR2A 2987/4885HTR2C 3615/4885

“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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