SCHEMBL2464322

SCHEMBL2464322

CC(C)(C)OC(=O)NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.57
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
CTSK P43235 2/20 0.53
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
DRD2 P14416 6/20 0.49
DRD3 P35462 1/20 0.48
RET P07949 1/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
NAMPT P43490 1/20 0.47
NSD2 O96028 1/20 0.47
SUV39H2 Q9H5I1 2/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 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
SCHEMBL12835989 0.94 PIM1 (0.58) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL20133542 0.89 CTSK (0.48) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL7841697 0.89 CTSK (0.47) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL7711219 0.85 DRD2 (0.48) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL30464347 0.85 PIM1 (0.52) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL3603145 0.85 PIM1 (0.54) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL25674484 0.85 PIM1 (0.52) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL20133633 0.84 KCNA3 (0.49) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL27643840 0.84 KDM4E (0.57) KCNA3CKS1BSKP1SKP2CTSK
SCHEMBL21360311 0.84 RET (0.49) KCNA3CKS1BSKP1SKP2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (2 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNA3 2351/4885CKS1B 324/4885SKP1 231/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNA3 2351/4885CKS1B 324/4885SKP1 231/4885

“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.