SCHEMBL3579582

SCHEMBL3579582

CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(Br)cc43)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
SYK P43405 2/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 2/20 0.38
CSF1R P07333 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CYP3A4 P08684 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
TDO2 P48775 1/20 0.36
PANK3 Q9H999 1/20 0.35
TNKS O95271 1/20 0.35
PDGFRB P09619 1/20 0.35
TNK2 Q07912 1/20 0.35

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
SCHEMBL3579587 1.00 JAK2 (0.40) JAK2SYKRAB9AL3MBTL1KMT2A
SCHEMBL3575074 0.89 JAK2 (0.40) JAK2SYKRAB9AL3MBTL1KMT2A
SCHEMBL3575077 0.89 JAK2 (0.40) JAK2SYKRAB9AL3MBTL1KMT2A
SCHEMBL3562399 0.85 PDGFRB (0.44) RAB9AKMT2ASMN1; SMN2CSF1RCDK4
SCHEMBL3562396 0.85 PDGFRB (0.44) RAB9AKMT2ASMN1; SMN2CSF1RCDK4
SCHEMBL3561979 0.84 ALK (0.37) JAK2SYKL3MBTL1
SCHEMBL3561976 0.84 ALK (0.37) JAK2SYKL3MBTL1
SCHEMBL3573105 0.84 FYN (0.42) JAK2SYKRAB9AL3MBTL1KMT2A
SCHEMBL3573113 0.84 FYN (0.42) JAK2SYKRAB9AL3MBTL1KMT2A
SCHEMBL3563927 0.83 PDGFRB (0.35) KMT2ASMN1; SMN2CSF1RCDK4CCND1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US claimed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US claimed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 JAK2 260/4885SYK 3389/4885RAB9A 1293/4885

“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.