Sugi Predict

Sugi Predict / Compounds / SCHEMBL17640675

SCHEMBL17640675

SCHEMBL17640675

COc1ccc(CNc2cc(C(C)N[S+]([O-])C(C)(C)C)c(-c3ccccc3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.49
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTGDR Q13258 1/20 0.40
▸ TP53 P04637 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 2/20 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
SCHEMBL19307613 0.84 PIK3CD (0.43) PIK3CDMEN1KMT2AHPGDNPC1
SCHEMBL19307612 0.84 PIK3CD (0.43) PIK3CDMEN1KMT2AHPGDNPC1
SCHEMBL17640754 0.84 PIK3CD (0.43) PIK3CDMEN1KMT2AHPGDNPC1
SCHEMBL17640680 0.81 PIK3CD (0.51) PIK3CDMEN1KMT2AHPGDHIF1A
SCHEMBL19307654 0.81 PIK3CD (0.49) PIK3CDMEN1KMT2AHPGDHIF1A
SCHEMBL17633513 0.80 PIK3CD (0.71) PIK3CDMEN1KMT2AHPGDNPC1
SCHEMBL17633515 0.80 PIK3CD (0.71) PIK3CDMEN1KMT2AHPGDNPC1
SCHEMBL17640681 0.76 ATM (0.48) PIK3CDHIF1APTGER4
SCHEMBL17633529 0.76 HIF1A (0.41) PIK3CDMEN1KMT2AHPGDHIF1A
SCHEMBL19307614 0.76 HIF1A (0.41) PIK3CDMEN1KMT2AHPGDHIF1A

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 2/4885MEN1 2771/4885KMT2A 2538/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885MEN1 2477/4885KMT2A 2385/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885MEN1 2771/4885KMT2A 2538/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885MEN1 2477/4885KMT2A 2385/4885

“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.