SCHEMBL2275498

SCHEMBL2275498

Cc1cc(-c2cccc(CNC(=O)O)c2)c2nc(NC3CCN(c4cc(C)ncn4)CC3)nn2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
NAMPT P43490 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
SCN9A Q15858 1/20 0.34
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL2275904 0.92 HRH4 (0.34) HRH4MAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL2273743 0.91 BRD4 (0.38) HRH4CKS1BSKP1SKP2
SCHEMBL17907538 0.89 GLS (0.33) HRH4MAPK1MAPTNAMPTPSEN1
Hydrochloric Acid SCHEMBL2271403 0.88 PSEN1 (0.35) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL2273594 0.86 PSEN1 (0.37) MAPK1SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL2275610 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2275585 0.77 JAK1 (0.37) SMPD3
SCHEMBL2270930 0.76 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2276052 0.74 PSEN1 (0.43) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL2273514 0.74 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 HRH4 134/4885MAPK1 3876/4885SMN1; SMN2 2270/4885

“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.