SCHEMBL14667014

SCHEMBL14667014

CC(C)c1nc(N)nc2scnc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 19/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
KCNH2 Q12809 1/20 0.33

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
SCHEMBL24995564 0.80 PI4KA (0.32) PI4KBPI4KAPI4K2BPI4K2A
SCHEMBL14667015 0.79 PI4KA (0.32) PI4KBPI4KAPI4K2BPI4K2A
SCHEMBL14670870 0.76 PI4KB (0.42) PI4KBPI4KAPI4K2BPI4K2AKCNH2
SCHEMBL16178506 0.72 PI4KB (0.42) PI4KBPI4KAPI4K2BPI4K2AKCNH2
SCHEMBL4569212 0.72 PI4KA (0.52) PI4KBPI4KAPI4K2BPI4K2A
SCHEMBL14669274 0.71 PI4KB (0.39) PI4KBPI4KAPI4K2BPI4K2AKCNH2
SCHEMBL14665404 0.71 PI4KB (0.39) PI4KBPI4KAPI4K2BPI4K2AKCNH2
SCHEMBL1720111 0.69 PI4KB (0.37) PI4KBPI4KAPI4K2BPI4K2AKCNH2
SCHEMBL12919843 0.66
SCHEMBL24174572 0.64 NOS3 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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 (2 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KB 13/4885PI4KA 14/4885PI4K2B 32/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PI4KB 13/4885PI4KA 14/4885PI4K2B 32/4885

“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.