Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569426

SCHEMBL4569426

SCHEMBL4569426

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2c(C(=O)NC2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ MAPK3 P27361 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PDE4B Q07343 8/20 0.37
▸ PDE4D Q08499 8/20 0.37
▸ PDE4C Q08493 6/20 0.37
▸ PDE4A P27815 5/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ TNF P01375 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNA1 P78396 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
SCHEMBL4569389 0.85 HTR2C (0.38) CNR2MAPK1
SCHEMBL4569383 0.83 LRRK2 (0.34) CCNT1CDK2CDK9CCNA1
SCHEMBL4569429 0.82 NTRK1 (0.45) NTRK1CNR2PDE4BPDE4DIRAK4
SCHEMBL4569427 0.79 CNR2 (0.44) NTRK1CNR2P2RX7BRD4
SCHEMBL14718894 0.79 CNR2 (0.44) NTRK1CNR2P2RX7BRD4
SCHEMBL14757801 0.78 PIK3CD (0.42) CNR2
SCHEMBL4569396 0.78 PIK3CD (0.45) CNR2PDE4BPDE4D
SCHEMBL4569333 0.76 BTK (0.41) NTRK1CNR2
SCHEMBL4569400 0.75 PIK3R2 (0.47) CNR2IRAK4
SCHEMBL14726987 0.75 PIK3R2 (0.51) —

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 9 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
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 NTRK1 1610/4885CNR2 1055/4885MAPK3 94/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NTRK1 1610/4885CNR2 1055/4885MAPK3 94/4885

“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.