SCHEMBL11977016

SCHEMBL11977016

CC(C)c1ccc(C(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.73
▸ ALDH1A1 P00352 4/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ POLB P06746 1/20 0.64
▸ GLA P06280 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HRH3 Q9Y5N1 2/20 0.60
▸ HPGD P15428 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL12015824 0.99 LMNA (0.75) LMNAALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL26814932 0.92 LMNA (0.87) LMNAALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL12089888 0.90 LMNA (0.90) LMNAALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL11977014 0.89 LMNA (0.78) LMNAALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL178529 0.86 CD274 (0.74) LMNAALDH1A1CYP1A2CYP2D6POLB
SCHEMBL12015823 0.86 LMNA (0.70) LMNAALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL14329888 0.84 ALDH1A1 (0.94) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL10195008 0.84 NPSR1 (0.94) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL3401326 0.84 CYP1A2 (0.74) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL8252160 0.84 NPSR1 (0.65) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 — — US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 — — US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 — — US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 — — US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 — — US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 — — US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 — — US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 — — US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 — — US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 — — WO disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US 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 (11 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A LMNA 4118/4885ALDH1A1 983/4885NPSR1 3935/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP LMNA 3649/4885ALDH1A1 1780/4885NPSR1 4739/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 LMNA 4670/4885ALDH1A1 2328/4885NPSR1 2681/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 LMNA 3537/4885ALDH1A1 3235/4885NPSR1 3910/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885NPSR1 3133/4885

“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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