SCHEMBL20085474

SCHEMBL20085474

CCn1cc2nc(C)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.38
COMT P21964 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
RECQL P46063 1/20 0.35
TP53 P04637 2/20 0.34
PDE10A Q9Y233 1/20 0.34
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL31251343 0.79 BACE1 (0.39) SMN1; SMN2HTTCOMTKDM4ERECQL
SCHEMBL20085473 0.78 MPO (0.38) SMN1; SMN2CYP1A2KDM4ELMNAPOLB
SCHEMBL20086106 0.75 HTT (0.34) SMN1; SMN2HTTCYP1A2LMNATP53
SCHEMBL20085472 0.75 KDM2B (0.38) CYP1A2RAB9AMAPTNPC1MEN1
SCHEMBL15344994 0.74 CYP1A2 (0.42) CYP1A2COMTKDM4ELMNAPOLB
SCHEMBL24930547 0.72 CYP1A2 (0.41) SMN1; SMN2HTTCYP1A2COMTKDM4E
SCHEMBL20085469 0.71 CYP1A2 (0.39) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL20085467 0.69 CYP1A2 (0.38) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL904741 0.69 JMJD6 (0.53) SMN1; SMN2KDM4ELMNARAB9AMAPT
SCHEMBL7512293 0.68 CYP1A2 (0.59) CYP1A2KDM4ELMNAPOLBCASP6

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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN3B, GRIN2B SMN1; SMN2 1937/4885HTT 3332/4885CYP1A2 891/4885

“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.