SCHEMBL17640720

SCHEMBL17640720

C[C@H](N)c1cc2nccn2nc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.45
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
PIK3CG P48736 2/20 0.40
PIK3R2 O00459 1/20 0.39
TRPA1 O75762 2/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
JAK2 O60674 2/20 0.37
MAP4K4 O95819 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL17640722 0.86 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL20964203 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640636 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640596 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640715 0.85 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640736 0.85 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2JAK2
Hydrochloric Acid SCHEMBL25322357 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2AKT1AKT2
Hydrochloric Acid SCHEMBL25322360 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640725 0.82 PIK3CD (0.43) PIK3CDPIK3CGPIK3R2KDRDYRK1B
SCHEMBL17640711 0.82 PIK3CD (0.52) PIK3CDPIK3CGPIK3R2ABL1KDR

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 6 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-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
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 2/4885RAB9A 531/4885SMN1; SMN2 3340/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885RAB9A 634/4885SMN1; SMN2 3025/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885RAB9A 531/4885SMN1; SMN2 3340/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885RAB9A 634/4885SMN1; SMN2 3025/4885

“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.