SCHEMBL19206330

SCHEMBL19206330

[CH]c1nc2c(N3CCOCC3)nc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.39
ATR Q13535 6/20 0.35
HRH3 Q9Y5N1 3/20 0.34
FLT3 P36888 1/20 0.34
HDAC1 Q13547 1/20 0.34
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 3/20 0.32
NT5E P21589 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 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
SCHEMBL2673005 0.86 YTHDC1 (0.41) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL2113717 0.85 YTHDC1 (0.38) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL30471093 0.85 YTHDC1 (0.38) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL30471263 0.84 HDAC1 (0.40) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL19003136 0.84 YTHDC1 (0.39) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL9936995 0.84 HDAC1 (0.40) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL1114173 0.82 PIK3CD (0.40) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL9937266 0.82 HDAC1 (0.37) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL31372903 0.82 PIK3CD (0.40) YTHDC1ATRHRH3FLT3HDAC1
SCHEMBL10008246 0.82 YTHDC1 (0.38) YTHDC1ATRHRH3FLT3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2017-08-17 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-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA YTHDC1 4766/4885ATR 507/4885HRH3 3193/4885

“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.