SCHEMBL4990282

SCHEMBL4990282

CN(C)c1nnc(Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
NAPRT Q6XQN6 1/20 0.38
HCAR3 P49019 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
TTR P02766 2/20 0.36
KDM4E B2RXH2 4/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CSNK2A1 P68400 1/20 0.36
THRB P10828 1/20 0.36
MAT2A P31153 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 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
SCHEMBL4993691 0.94 TSHR (0.40) TSHRCSNK2A2CSNK2BNAPRTHCAR3
SCHEMBL4991890 0.84 TSHR (0.50) TSHRNAPRTACE2SLC22A12TTR
Hydrochloric Acid SCHEMBL10456360 0.82 TSHR (0.48) TSHRNAPRTACE2SLC22A12TTR
SCHEMBL4988304 0.82 CSNK2A1 (0.38) CSNK2A2CSNK2BHCAR3ACE2KDM4E
SCHEMBL4990591 0.79 CSNK2A1 (0.38) HCAR3ACE2KDM4EALDH1A1HPGD
SCHEMBL4991745 0.78 SLC22A12 (0.40) TSHRCSNK2A2CSNK2BHCAR3ACE2
SCHEMBL4995278 0.78 TSHR (0.44) TSHRCSNK2A2CSNK2BNAPRTTTR
SCHEMBL4991914 0.76 HCAR3 (0.41) TSHRCSNK2A2CSNK2BNAPRTHCAR3
SCHEMBL4984409 0.76 CA1 (0.44) TSHRNAPRTACE2SLC22A12TTR
SCHEMBL4986882 0.75 SLC22A12 (0.37) HCAR3ACE2SLC22A12KDM4EALDH1A1

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 TSHR 4334/4885CSNK2A2 59/4885CSNK2B 114/4885

“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.