SCHEMBL4569431

SCHEMBL4569431

C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(OCCN2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PIK3CD O00329 7/20 0.36
PIK3R2 O00459 5/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.34
PIK3CG P48736 2/20 0.33
FGFR1 P11362 1/20 0.33
PIK3R1 P27986 1/20 0.33

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
SCHEMBL4569369 0.80 KCNN3 (0.36) HTR2AHTR2CPIK3CDHRH3TSHR
SCHEMBL14649221 0.79 PIK3CD (0.46) PIK3CDPIK3R2PIK3CGPIK3R1
SCHEMBL4569430 0.77 TSHR (0.46) HRH3TSHR
SCHEMBL4569425 0.77 EGFR (0.38) PIK3CDPIK3R2PIK3CGPIK3R1
SCHEMBL4569368 0.76 PIK3CD (0.48) PIK3CDPIK3R2HRH3PIK3CG
SCHEMBL4569403 0.75 PIK3CD (0.40) HTR2APIK3CDPIK3R2HRH3PIK3CG
SCHEMBL4569382 0.74 PIK3CD (0.48) PIK3CDPIK3R2HRH3PIK3CG
SCHEMBL15888076 0.74 PIK3CD (0.40) HTR2APIK3CDPIK3R2HRH3TSHR
SCHEMBL4569438 0.74 CNR1 (0.40) SYKHTR2CPIK3CDPIK3R2PIK3CG
SCHEMBL4569429 0.71 NTRK1 (0.45) PIK3CDPIK3R2PIK3CGPIK3R1

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 SYK 382/4885HTR2A 2518/4885HTR2C 1722/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SYK 382/4885HTR2A 2518/4885HTR2C 1722/4885

“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.