Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569432

SCHEMBL4569432

SCHEMBL4569432

C[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1cc2cccc(-c3cnn(C)c3)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CG P48736 5/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SOS1 Q07889 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3R5 Q8WYR1 1/20 0.35
▸ PIK3R3 Q92569 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ EP300 Q09472 1/20 0.34

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
SCHEMBL4569433 0.88 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL17913949 0.88 SOS1 (0.39) PIK3CGSOS1PIK3CDPIK3CAPIK3R2
SCHEMBL4569408 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL3706893 0.85 FLT3 (0.42) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL4569434 0.81 PIK3CG (0.41) PIK3CGSOS1FLT3PIK3CDPIK3CA
SCHEMBL4569435 0.81 PIK3CG (0.39) PIK3CGSOS1PIK3CDPIK3CAPIK3R2
SCHEMBL179578 0.77 PIK3CG (0.53) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL4569406 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL17913948 0.75 SOS1 (0.44) SOS1CYP2C19PIK3CDPIK3R2
SCHEMBL3707240 0.74 FLT3 (0.45) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2

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-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 — — US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 — — US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — 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 (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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NPC1 1044/4885RAB9A 741/4885SMN1; SMN2 1464/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NPC1 1044/4885RAB9A 741/4885SMN1; SMN2 1464/4885

“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.