SCHEMBL4991745

SCHEMBL4991745

CN(C)c1nnc(C#N)c2cc(C(=O)O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
ACE2 Q9BYF1 2/20 0.35
HCAR3 P49019 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ALK Q9UM73 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34

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
SCHEMBL4986882 0.94 SLC22A12 (0.37) SLC22A12ACE2HCAR3ALDH1A1MEN1
SCHEMBL4988304 0.78 CSNK2A1 (0.38) ACE2HCAR3ALDH1A1MEN1KMT2A
SCHEMBL4990282 0.78 TSHR (0.40) SLC22A12ACE2HCAR3ALDH1A1MEN1
SCHEMBL4991481 0.78 SLC22A12 (0.40) SLC22A12ACE2HCAR3ALDH1A1MEN1
SCHEMBL4990591 0.75 CSNK2A1 (0.38) ACE2HCAR3ALDH1A1MEN1KMT2A
SCHEMBL4993691 0.75 TSHR (0.40) SLC22A12ACE2HCAR3ALDH1A1MEN1
SCHEMBL4996128 0.75 HCAR3 (0.39) SLC22A12ACE2HCAR3ALDH1A1CSNK2A1
SCHEMBL4997771 0.69 CSNK2A1 (0.51) ALDH1A1MEN1LMNACYP1A2CYP3A4
SCHEMBL17519972 0.65 HCAR3 (0.51) HCAR3ALDH1A1HPGDKDM4E
SCHEMBL5071339 0.65 SLC22A12 (0.43) SLC22A12ALDH1A1MEN1KMT2ACLK4

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 8 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 claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 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 (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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 SLC22A12 4433/4885ACE2 1486/4885HCAR3 1955/4885

“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.