SCHEMBL18693719

SCHEMBL18693719

CNC(=O)c1cc(N)n(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CYP1A2 P05177 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ NPY5R Q15761 1/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL18925832 0.83 MAPK1 (0.57) MEN1KMT2ACYP1A2MAPK1CYP2C19
SCHEMBL6533973 0.82 MALT1 (0.57) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL11418354 0.82 RPA1 (0.63) MEN1KMT2ACYP1A2MAPK1CYP2C19
SCHEMBL11649636 0.82 HPGD (0.59) MEN1KMT2ACYP1A2MAPK1CYP2C19
SCHEMBL11700031 0.81 SCN9A (0.55) MEN1KMT2ACYP1A2MAPK1CYP2C19
SCHEMBL11686740 0.79 CYP1A2 (0.53) MALT1MEN1KMT2ACYP1A2MAPK1
SCHEMBL2835335 0.75 KMT2A (0.65) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL29064961 0.75 ALDH1A1 (0.49) MEN1KMT2ACYP1A2MAPK1CYP2C19
SCHEMBL15942193 0.74 BAZ2B (0.66) MALT1MEN1KMT2AMAPTKDM4E
SCHEMBL12099827 0.74 CTSA (0.60) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431002-A Substituted pyrazolo [3, 4-b ] pyridine-6-carboxylic acids and uses thereof 艾伯维公司 2018-08-21 — — CN 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-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
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — 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-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 MALT1 2165/4885MEN1 2907/4885KMT2A 4823/4885

“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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