SCHEMBL18694078

SCHEMBL18694078

CCOC(=O)c1cc(C(=O)O)c2c(C)nn(-c3ccccc3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ POLB P06746 3/20 0.61
▸ USP2 O75604 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ TDP1 Q9NUW8 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ MAPT P10636 5/20 0.56
▸ RECQL P46063 1/20 0.56
▸ PDE4D Q08499 1/20 0.53
▸ CFTR P13569 1/20 0.53
▸ HPGD P15428 5/20 0.52
▸ GAA P10253 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MCL1 Q07820 1/20 0.51

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
SCHEMBL18692826 0.87 KMT2A (0.57) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18693833 0.86 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18692229 0.86 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18694753 0.86 PDE11A (0.61) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL14353491 0.84 TDP1 (0.78) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18692700 0.83 ALDH1A1 (0.68) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18693048 0.82 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18694405 0.81 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18732473 0.81 CFTR (0.63) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18692799 0.81 CFTR (0.63) KDM4EALDH1A1KMT2AMEN1HSD17B10

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 KDM4E 4749/4885ALDH1A1 1509/4885KMT2A 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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