SCHEMBL16229481

SCHEMBL16229481

CC(N=[N+]=[N-])c1nc2c(N3CCOCC3)nc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.35
ATR Q13535 4/20 0.32
CYP3A4 P08684 1/20 0.31
HDAC1 Q13547 1/20 0.31
NT5E P21589 1/20 0.31

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
SCHEMBL19003136 0.86 YTHDC1 (0.39) YTHDC1ATRCYP3A4HDAC1
SCHEMBL9937975 0.85 YTHDC1 (0.38) YTHDC1ATRCYP3A4HDAC1NT5E
SCHEMBL10008246 0.85 YTHDC1 (0.38) YTHDC1ATRCYP3A4HDAC1
SCHEMBL21523565 0.79 YTHDC1 (0.34) YTHDC1ATRHDAC1
SCHEMBL30076448 0.79 YTHDC1 (0.34) YTHDC1ATRHDAC1NT5E
SCHEMBL9936683 0.79 YTHDC1 (0.34) YTHDC1ATRHDAC1NT5E
SCHEMBL9937867 0.78 HDAC1 (0.37) YTHDC1ATRHDAC1NT5E
SCHEMBL19206330 0.77 YTHDC1 (0.39) YTHDC1ATRCYP3A4HDAC1NT5E
SCHEMBL2673005 0.77 YTHDC1 (0.41) YTHDC1ATRCYP3A4HDAC1NT5E
SCHEMBL30471093 0.76 YTHDC1 (0.38) YTHDC1ATRCYP3A4HDAC1NT5E

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 9 patents. 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
US-9546182-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. 2017-01-17 US disclosed
EP-3053925-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-08-10 EP disclosed
EP-2813506-B1 Tricyclic PI3K inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2016-05-25 EP disclosed
US-20150079081-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-19 US disclosed
EP-2813506-A1 Tricyclic PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-12-17 EP disclosed
EP-2651951-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8883799-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-11-11 US disclosed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 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 (3 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-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR YTHDC1 4755/4885ATR 478/4885CYP3A4 1099/4885
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA YTHDC1 4766/4885ATR 507/4885CYP3A4 1190/4885
US-20150079081-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA YTHDC1 4766/4885ATR 507/4885CYP3A4 1190/4885

“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.