SCHEMBL2952070

SCHEMBL2952070

O=Cc1c(C(F)(F)F)ccc(Br)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
NOTUM Q6P988 1/20 0.33
ERN1 O75460 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL1015538 0.85 KIF11 (0.39) KIF11NOTUMERN1CYP2D6CYP2C9
SCHEMBL8401425 0.82 KIF11 (0.36) KIF11NOTUMERN1CA1CA2
SCHEMBL2457908 0.80 KIF11 (0.44) KIF11ERN1CYP2D6CYP2C9NFKB1
SCHEMBL8401545 0.79 KIF11 (0.34) KIF11NOTUMERN1CA1CA2
SCHEMBL1418396 0.79 ERN1 (0.42) ERN1MEN1KMT2A
SCHEMBL29504018 0.79 ERN1 (0.42) ERN1MEN1KMT2A
SCHEMBL8401304 0.77 KIF11 (0.42) KIF11ERN1CYP2D6CYP2C9
SCHEMBL613749 0.77 ALDH1A1 (0.39) KIF11NOTUMCYP2D6CYP2C9CA1
SCHEMBL31165603 0.77 KIF11 (0.35) KIF11NOTUMERN1CA1CA2
SCHEMBL30480764 0.77 ALDH1A1 (0.39) KIF11NOTUMCYP2D6CYP2C9CA1

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 7 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
US-5977414-A 2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof NIPPON SODA CO., LTD. (JP) 1999-11-02 US disclosed
EP-0881207-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NIPPON SODA CO., LTD. (JP) 1998-12-02 EP 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 KIF11 2741/4885NOTUM 4088/4885ERN1 3060/4885

“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.