SCHEMBL863598

SCHEMBL863598

Cc1nc(N)nc(NC(C)c2cc3ccc(F)cc3nc2N(C)[C@@H]2COCCO2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.35
OPRK1 P41145 3/20 0.32
IDH1 O75874 1/20 0.31
ADRA1D P25100 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HTR6 P50406 1/20 0.30
SOS1 Q07889 1/20 0.30
NTRK1 P04629 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
SCHEMBL864259 0.77 PIK3CD (0.41) PIK3CDADRA1DHTR2CHTR7ADRA1A
SCHEMBL15184790 0.77 PIK3CD (0.41) PIK3CDADRA1DHTR2CHTR7ADRA1A
SCHEMBL717152 0.74 PIK3CD (0.40) PIK3CDOPRK1ADRA1DHTR2CHTR7
SCHEMBL863597 0.73
SCHEMBL718044 0.71 GPR6 (0.38) PIK3CDOPRK1SOS1
SCHEMBL722778 0.69 OPRK1 (0.42) OPRK1SOS1
SCHEMBL15184765 0.68 HTR7 (0.43) PIK3CDADRA1DHTR2CHTR7ADRA1A
SCHEMBL863562 0.68 HTR7 (0.43) PIK3CDADRA1DHTR2CHTR7ADRA1A
SCHEMBL864109 0.67 HTR7 (0.42) PIK3CDADRA1DHTR2CHTR7ADRA1A
SCHEMBL15184816 0.67 HTR7 (0.42) PIK3CDADRA1DHTR2CHTR7ADRA1A

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 PIK3CD 14/4885OPRK1 600/4885IDH1 727/4885

“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.