SCHEMBL18694008

SCHEMBL18694008

CC(C)c1cc(N)n(-c2cc(Cl)ccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTGS1 P23219 2/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ MAP3K14 Q99558 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ NR4A2 P43354 2/20 0.32
▸ SOS2 Q07890 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL18692298 0.76 PTGS1 (0.39) KMT2APOLBPTGS1ALDH1A1LMNA
SCHEMBL18692735 0.71 HRH4 (0.50) —
SCHEMBL908395 0.70 KDM4C (0.41) KMT2APOLBALDH1A1LMNAKDM4C
SCHEMBL18692998 0.68 LRRK2 (0.50) —
SCHEMBL14176180 0.68 RAB9A (0.55) KMT2APTGS1ALDH1A1LMNAPKM
SCHEMBL18692456 0.68 MAPT (0.53) KMT2APTGS1ALDH1A1SMN1; SMN2GAA
SCHEMBL1012992 0.67 CYP1A2 (0.62) KMT2APOLBPTGS1NPSR1ALDH1A1
SCHEMBL15930155 0.67 LMNA (0.45) KMT2APOLBACACBLMNAKDM4C
SCHEMBL18693291 0.66 POLB (0.41) KMT2APOLBPTGS1PIK3CDALDH1A1
SCHEMBL2537068 0.66 SMN1; SMN2 (0.60) KMT2APOLBPTGS1ALDH1A1LMNA

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 KMT2A 4823/4885ATM 1230/4885POLB 1889/4885

“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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