SCHEMBL2955600

SCHEMBL2955600

Cc1ccccc1-c1ccc(C(=O)N(C(C)C)C(C)C)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HPGD P15428 2/20 0.36
MCOLN3 Q8TDD5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ERN1 O75460 3/20 0.36
CA12 O43570 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
SCHEMBL2947873 0.80 MCL1 (0.49) MCL1EDNRBEDNRATSHRALDH1A1
SCHEMBL30686033 0.78 SRC (0.44) NPSR1TSHRALDH1A1HPGDMCOLN3
SCHEMBL2946560 0.75 NPSR1 (0.70) MCL1NPSR1EDNRBEDNRAALDH1A1
SCHEMBL3971606 0.73 MCL1 (0.58) MCL1TSHRALDH1A1ERN1
SCHEMBL12989218 0.70 KMT2A (0.50) NPSR1TSHRMAPK1HPGDMCOLN3
SCHEMBL5737521 0.70 MCL1 (0.54) MCL1EDNRBEDNRATSHRALDH1A1
SCHEMBL7936530 0.68 ERN1 (0.51) TSHRALDH1A1KDM4EMAPTERN1
SCHEMBL3873731 0.68 HDAC8 (0.39) ALDH1A1HPGDERN1
SCHEMBL3689077 0.67 ALOX5AP (0.46) MCL1TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL28356802 0.67 CTSD (0.49) MCL1TSHRALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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 (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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 MCL1 1410/4885NPSR1 1507/4885EDNRB 1563/4885

“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.