Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569369

SCHEMBL4569369

SCHEMBL4569369

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2c(OCCN2CCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ SRC P12931 5/20 0.34
▸ TSHR P16473 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ BCHE P06276 3/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ YES1 P07947 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ RET P07949 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ FGFR2 P21802 1/20 0.32

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
SCHEMBL4569431 0.80 SYK (0.38) HRH3TSHRHTR2AHTR2CPIK3CD
SCHEMBL4569342 0.80 KCNN3 (0.36) KCNN3PIK3CDPIK3R1LCKCYP3A4
SCHEMBL4569370 0.80 KCNN3 (0.35) KCNN3HRH3PIK3CDPIK3R1
SCHEMBL4569361 0.79 KCNN3 (0.38) KCNN3PIK3CDPIK3R1ABL1CYP3A4
SCHEMBL14649219 0.79 PIK3CD (0.42) PIK3CDPIK3R1
SCHEMBL4569430 0.77 TSHR (0.46) HRH3TSHRBCHEACHE
SCHEMBL4569424 0.77 EGFR (0.35) KCNN3EGFRPIK3CDPIK3R1
SCHEMBL4569368 0.76 PIK3CD (0.48) HRH3SRCEGFRERBB2PIK3CD
SCHEMBL4569403 0.75 PIK3CD (0.40) HRH3SRCEGFRERBB2HTR2A
SCHEMBL4569382 0.74 PIK3CD (0.48) HRH3SRCEGFRERBB2PIK3CD

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 KCNN3 1944/4885HRH3 1695/4885SRC 241/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KCNN3 1944/4885HRH3 1695/4885SRC 241/4885

“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.