SCHEMBL19251241

SCHEMBL19251241

CCC(C)(C)c1cnc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
NUDT1 P36639 10/20 0.35
DHFR P00374 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL18935596 0.83 NUDT1 (0.37) NUDT1SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL19251327 0.79 CNR2 (0.37) NUDT1
SCHEMBL14930980 0.79 NPC1 (0.34) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL22778727 0.78 NPC1 (0.35) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21893106 0.77 PTPN1 (0.34) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21791917 0.77 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL19251523 0.77 TDP1 (0.35) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21166167 0.77 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL19251103 0.77 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL18867187 0.77 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2LMNA

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-20220119393-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS INCYTE CORPORATION 2022-04-21 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 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-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-20220119393-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K-DELTA RELATED DISORDERS PIK3CD, PIK3CA, PIK3CB NPC1 838/4885RAB9A 506/4885MAPT 2749/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 1885/4885RAB9A 3316/4885MAPT 2765/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 1992/4885RAB9A 3133/4885MAPT 2972/4885

“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.