SCHEMBL2608548

SCHEMBL2608548

Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
DHODH Q02127 12/20 0.41
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.35
MPO P05164 1/20 0.34
NOTUM Q6P988 1/20 0.34
NT5E P21589 1/20 0.33

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
SCHEMBL2124656 0.94 PIK3CA (0.46) PIK3CADHODHTDP1KDM4ELMNA
SCHEMBL2123245 0.88 PIK3CA (0.41) PIK3CADHODHKDM4EMPO
SCHEMBL2608549 0.77 PIK3CA (0.43) PIK3CADHODHKDM4ELMNACYP1A2
SCHEMBL2123766 0.77 MAPK14 (0.52) PIK3CADHODHMPO
SCHEMBL2123397 0.75 PIK3CA (0.42) PIK3CADHODHKDM4EMPO
SCHEMBL2712930 0.74 CYP11B1 (0.44) DHODHCYP3A4MPO
SCHEMBL29893339 0.73 DHODH (0.44) DHODHKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2124769 0.72 DHODH (0.50) PIK3CADHODHKDM4E
SCHEMBL2124596 0.71 PIK3CA (0.47) PIK3CAMPO
SCHEMBL2123581 0.71 MPO (0.45) DHODHKDM4EMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885DHODH 2656/4885TDP1 2061/4885

“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.