Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569389

SCHEMBL4569389

SCHEMBL4569389

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.38
▸ MOK Q9UQ07 3/20 0.38
▸ ADORA2A P29274 1/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL14649477 0.88 MOK (0.37) HTR2CMOKADORA2AMAPK1CNR1
SCHEMBL4569426 0.85 NTRK1 (0.38) MAPK1CNR2
SCHEMBL4569383 0.85 LRRK2 (0.34) KCNN3LRRK2PIK3CDPIK3R1CYP3A4
SCHEMBL4569386 0.82 IRAK4 (0.40) HTR2CMOKCNR1CNR2RORC
SCHEMBL4569438 0.80 CNR1 (0.40) HTR2CMOKADORA2ACNR1CNR2
SCHEMBL4569342 0.80 KCNN3 (0.36) KCNN3HPGDKMT2APIK3CDPIK3R1
SCHEMBL4569485 0.78 PIK3CD (0.39) HTR2CMOKADORA2ARORCHPGD
SCHEMBL4569377 0.77 PIK3CD (0.49) MOKADORA2ARORCPIK3CD
SCHEMBL4569376 0.77 HTR2C (0.47) HTR2CMOKCNR1CNR2HPGD
SCHEMBL16269980 0.77 HTR2C (0.41) HTR2CMOKMAPK1CNR1CNR2

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 HTR2C 1722/4885MOK 119/4885ADORA2A 1165/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTR2C 1722/4885MOK 119/4885ADORA2A 1165/4885

“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.