SCHEMBL18694203

SCHEMBL18694203

Cc1cc(N)n(-c2cccc(N(C)C)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ POLB P06746 3/20 0.51
▸ LMNA P02545 2/20 0.49
▸ NPY5R Q15761 2/20 0.45
▸ PLK1 P53350 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL17963200 0.82 CYP1A2 (0.64) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL18693565 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL13532246 0.81 NPY5R (0.45) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL11323126 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL10580161 0.80 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3178354 0.80 NPY5R (0.44) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL387289 0.78 CYP1A2 (1.00) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL405007 0.78 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL11686870 0.78 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL10929795 0.78 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2

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 7 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
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 ALDH1A1 1509/4885CYP1A2 1007/4885CYP2C19 375/4885

“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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