Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569408

SCHEMBL4569408

SCHEMBL4569408

C[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1cc2cccc(-c3cnn(C)c3)c2c(CCN2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3CG P48736 4/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ YTHDC1 Q96MU7 1/20 0.36
▸ FLT3 P36888 3/20 0.35
▸ SYK P43405 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4569406 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL4569432 0.87 NPC1 (0.39) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL3706893 0.86 FLT3 (0.42) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL4569410 0.81 IRAK4 (0.41) PIK3CGIRAK4IRAK1CYP1A2CYP2C19
SCHEMBL4569409 0.81 IRAK4 (0.41) PIK3CGIRAK4IRAK1SYKMAPK1
SCHEMBL179578 0.77 PIK3CG (0.53) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL3703221 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL4569353 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL3707240 0.75 FLT3 (0.45) NPC1RAB9ASMN1; SMN2PIK3CGCYP1A2
SCHEMBL4569433 0.74 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2HPGD

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 8 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-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
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.