SCHEMBL2087362

SCHEMBL2087362

NNc1cccc(N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
AGXT P21549 1/20 0.54
TTBK1 Q5TCY1 1/20 0.53
TTBK2 Q6IQ55 1/20 0.53
KMO O15229 1/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PIM1 P11309 1/20 0.49
LGMN Q99538 1/20 0.49
PLK4 O00444 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
DHFR P00374 1/20 0.47
SETD2 Q9BYW2 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
Hydrochloric Acid SCHEMBL2086926 0.98 LMNA (0.53) LMNAAGXTTTBK1TTBK2KMO
SCHEMBL6992776 0.87 LMNA (0.57) LMNAAGXTTTBK1TTBK2KMO
SCHEMBL108137 0.84 LMNA (0.53) LMNAAGXTTTBK1TTBK2KMO
SCHEMBL27970512 0.84 LMNA (0.53) LMNAAGXTTTBK1TTBK2KMO
SCHEMBL19623431 0.84 HDAC1 (0.56) LMNAAGXTTTBK1TTBK2KMO
SCHEMBL28756272 0.83 AGXT (0.52) LMNAAGXTTTBK1TTBK2KMO
SCHEMBL27329825 0.82 LMNA (0.71) LMNAAGXTKMOLGMNCASP7
SCHEMBL13151154 0.81 PRMT6 (0.51) LMNAAGXTMEN1MAPTKMT2A
SCHEMBL3496105 0.81 KMO (0.56) LMNAKMOHDAC1HDAC3HDAC2
SCHEMBL4172379 0.81 MAPT (0.50) LMNAAGXTTTBK1TTBK2KMO

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 31 patents — showing the first 20. 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
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
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
EP-1877388-A2 HYDRAZINOMETHYL, HYDRAZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS Kudos Pharmaceuticals Ltd (GB) 2008-01-16 EP disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 WO disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 WO disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 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 (3 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 LMNA 4686/4885AGXT 2062/4885TTBK1 3411/4885
US-20060199804-A1 Compounds CA4, CA6, CYP2B6 LMNA 2032/4885AGXT 2699/4885TTBK1 4518/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 LMNA 3537/4885AGXT 1872/4885TTBK1 273/4885

“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.