SCHEMBL18694201

SCHEMBL18694201

CC(C)c1cc(N)n(C2CCN(C(=O)OCc3ccccc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GRIN2B Q13224 10/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AADAT Q8N5Z0 1/20 0.45
LNPEP Q9UIQ6 1/20 0.44
CYP3A4 P08684 3/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43

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
SCHEMBL18694815 0.94 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL18694214 0.88 AADAT (0.47) SMN1; SMN2CYP2C19NPC1RAB9AAADAT
SCHEMBL18161205 0.87 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL15006884 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL16794552 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL28746228 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL19732433 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL17946175 0.75 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL19876581 0.75 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL14211349 0.75 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 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-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 SMN1; SMN2 1963/4885CYP2C19 375/4885NPC1 1836/4885

“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.