Sugi Predict

Sugi Predict / Compounds / SCHEMBL17640684

SCHEMBL17640684

SCHEMBL17640684

C[C@H](N)c1cc2nccn2nc1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.41
▸ PIK3CG P48736 5/20 0.38
▸ PIK3R2 O00459 3/20 0.35
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ RET P07949 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 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
Hydrochloric Acid SCHEMBL17633549 0.99 PIK3CD (0.40) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640712 0.92 PIK3CD (0.38) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL19317546 0.91 PIK3CD (0.40) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640736 0.87 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2KDR
SCHEMBL17640706 0.83 TGFBR1 (0.44) PIK3CDPIK3CGAKT1AKT2KDR
SCHEMBL17640636 0.82 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL20964203 0.82 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2AKT1AKT2
SCHEMBL17640685 0.82 DYRK1A (0.47) PIK3CDPIK3CGAKT1AKT2KDR
SCHEMBL17640596 0.82 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2AKT1AKT2
Hydrochloric Acid SCHEMBL25322360 0.81 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2AKT1AKT2

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 2/4885PIK3CG 9/4885PIK3R2 10/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PIK3CG 8/4885PIK3R2 9/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 9/4885PIK3R2 10/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PIK3CG 8/4885PIK3R2 9/4885

“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.