SCHEMBL17633484

SCHEMBL17633484

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc([C@H](C)N[S@+]([O-])C(C)(C)C)c(Cl)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.67
PIK3R2 O00459 1/20 0.47
PIK3CG P48736 1/20 0.47
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH1 P35367 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
SCHEMBL19307680 1.00 PIK3CD (0.67) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL19307596 1.00 PIK3CD (0.67) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL20964225 1.00 PIK3CD (0.67) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL19307681 1.00 PIK3CD (0.67) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL19307653 0.83 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL19307650 0.83 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL19307674 0.82 PIK3CD (0.70) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL17640773 0.82 PIK3CD (0.70) PIK3CDPIK3R2PIK3CGLMNAMEN1
SCHEMBL19307613 0.81 PIK3CD (0.43) PIK3CDMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17640754 0.81 PIK3CD (0.43) PIK3CDMEN1KMT2ASMN1; SMN2MAPT

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-10611777-B2 Imidazopyridazine compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2020-04-07 US disclosed
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LTD (CN) 2019-05-02 US disclosed
US-10208066-B2 Imidazopyridazine compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2019-02-19 US disclosed
US-10208066-B2 Imidazopyridazine compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2019-02-19 US disclosed
US-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2017-09-07 US disclosed
US-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2017-09-07 US disclosed
US-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2017-09-07 US disclosed
EP-3197898-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE Hutchison Medipharma Limited (CN) 2017-08-02 EP disclosed
WO-2016045591-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-03-31 WO 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 (4 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-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 10/4885PIK3CG 9/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PIK3R2 9/4885PIK3CG 8/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 10/4885PIK3CG 9/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PIK3R2 9/4885PIK3CG 8/4885

“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.