Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569433

SCHEMBL4569433

SCHEMBL4569433

C[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.41
▸ CYP2C19 P33261 1/20 0.38
▸ SOS1 Q07889 2/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ TSHR P16473 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PI4KA P42356 1/20 0.35

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
SCHEMBL4569432 0.88 NPC1 (0.39) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL17913948 0.86 SOS1 (0.44) CYP2C19SOS1EGFRCYP2C9MOK
SCHEMBL4569406 0.84 NPC1 (0.44) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3707240 0.82 FLT3 (0.45) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4569306 0.79 HDAC1 (0.43) HPGDNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL4569312 0.79 PIK3CD (0.41) CYP1A2CYP2C19SOS1EGFRCYP2C9
SCHEMBL4569377 0.79 PIK3CD (0.49) SOS1EGFRMOK
SCHEMBL4569385 0.79 PIK3R2 (0.48) SOS1EGFRMOK
SCHEMBL4569479 0.78 PIK3CD (0.47) SOS1EGFRMOK
SCHEMBL4569475 0.78 PIK3R2 (0.46) SOS1EGFRMOK

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 CYP1A2 2099/4885HPGD 836/4885NPC1 1044/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885HPGD 836/4885NPC1 1044/4885

“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.