SCHEMBL863994

SCHEMBL863994

COCCCNc1nc2c(C)c(F)ccc2cc1[C@H](C)Nc1ncnc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.36
PIK3CD O00329 5/20 0.35
PIK3R2 O00459 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NR2F2 P24468 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
EGFR P00533 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32

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
SCHEMBL863995 1.00 CHRM4 (0.37) CHRM4HTTSMN1; SMN2LMNANPC1
SCHEMBL864325 0.85 PIK3CD (0.44) CHRM4HTTSMN1; SMN2LMNANPC1
SCHEMBL864326 0.85 PIK3CD (0.44) CHRM4HTTSMN1; SMN2LMNANPC1
SCHEMBL15184782 0.85 KDM4E (0.35) HTTLMNAPIK3CDPIK3R2KDM4E
SCHEMBL864077 0.84 PIK3CD (0.47) CHRM4HTTSMN1; SMN2LMNANPC1
SCHEMBL864078 0.84 PIK3CD (0.47) CHRM4HTTSMN1; SMN2LMNANPC1
SCHEMBL15184776 0.83 CHRM4 (0.36) CHRM4HTTSMN1; SMN2LMNANPC1
SCHEMBL864801 0.80 PIK3CD (0.46) HTTSMN1; SMN2LMNANPC1PIK3CD
SCHEMBL864802 0.80 PIK3CD (0.46) HTTSMN1; SMN2LMNANPC1PIK3CD
SCHEMBL14482164 0.79 PIK3CD (0.35) PIK3CDPIK3R2EGFRPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA CHRM4 2679/4885HTT 2562/4885SMN1; SMN2 2993/4885

“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.