SCHEMBL3707240

SCHEMBL3707240

C[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1cc2cccc(Cl)c2c(N2CCN(C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
YTHDC1 Q96MU7 1/20 0.44
CYP1A2 P05177 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APEX1 P27695 1/20 0.36
PI4KA P42356 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3706893 0.88 FLT3 (0.42) FLT3NPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL4569406 0.83 NPC1 (0.44) FLT3NPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL4569433 0.82 CYP1A2 (0.43) FLT3NPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL9884061 0.80 PIK3CD (0.56) NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2
SCHEMBL14329148 0.78 NPC1 (0.47) FLT3NPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL153714 0.78 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2
SCHEMBL19656225 0.78 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2
SCHEMBL153713 0.78 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2
SCHEMBL31628325 0.78 PIK3CD (0.54) NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2
SCHEMBL3700010 0.76 PIK3CD (0.41) PIK3CDPIK3CGCNR2

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 13 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-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-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
EP-2637669-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO 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 FLT3 412/4885NPC1 1044/4885RAB9A 741/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB FLT3 412/4885NPC1 1044/4885RAB9A 741/4885

“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.