SCHEMBL18944203

SCHEMBL18944203

Cc1cc(F)c(-c2cc3cc(-c4cnc(C(=O)NCCO)cc4C)cnc3[nH]2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.47
METAP2 P50579 1/20 0.43
ULK1 O75385 15/20 0.41
CNR1 P21554 1/20 0.37
GCGR P47871 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
SCHEMBL15036305 0.92 ORAI1 (0.55) ORAI1METAP2ULK1GCGR
SCHEMBL15020468 0.80 ORAI1 (0.59) ORAI1ULK1
SCHEMBL15020539 0.78 ORAI1 (0.62) ORAI1ULK1
SCHEMBL15750874 0.74 ORAI1 (0.61) ORAI1ULK1
SCHEMBL15751300 0.70 ORAI1 (0.86) ORAI1ULK1
SCHEMBL15020464 0.66 ORAI1 (0.59) ORAI1ULK1
SCHEMBL15750813 0.64 ORAI1 (1.00) ORAI1ULK1
SCHEMBL15751035 0.64 ORAI1 (0.73) ORAI1ULK1
SCHEMBL15033682 0.63 METAP2 (0.46) METAP2CNR1
SCHEMBL23775421 0.63 ATM (0.41) ORAI1

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-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 ORAI1 4481/4885METAP2 1263/4885ULK1 495/4885

“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.