SCHEMBL18935596

SCHEMBL18935596

CCCC(C)(C)c1cnc(N)nc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.37
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 2/20 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
SCHEMBL19251327 0.88 CNR2 (0.37) NUDT1CNR2
SCHEMBL18935497 0.85 CNR2 (0.44) CNR2
SCHEMBL18935611 0.83 NUDT1 (0.37) NUDT1PIK3R1PIK3CAKDM4EALDH1A1
SCHEMBL19251241 0.83 NPC1 (0.41) NUDT1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL18744472 0.81 CNR2 (0.33) CNR2
SCHEMBL19135671 0.80 NUDT1 (0.35) NUDT1PIK3R1PIK3CAKDM4EALDH1A1
SCHEMBL19251175 0.80 CNR1 (0.33) CNR2
SCHEMBL19069003 0.79 CNR2 (0.31) CNR2
SCHEMBL20878357 0.79 ESR1 (0.32) CNR2
SCHEMBL18745858 0.79 NOS3 (0.41) PIK3CAKDM4ECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-11-30 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB NUDT1 876/4885PIK3R1 17/4885PIK3CA 1/4885
US-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB NUDT1 876/4885PIK3R1 17/4885PIK3CA 1/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB NUDT1 305/4885PIK3R1 23/4885PIK3CA 1/4885

“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.