SCHEMBL30185638

SCHEMBL30185638

COC(=O)Nc1cc(Br)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ PIK3C3 Q8NEB9 7/20 0.50
▸ RIOK2 Q9BVS4 1/20 0.48
▸ NTRK1 P04629 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ AAK1 Q2M2I8 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL16923772 1.00 JAK2 (0.51) JAK2JAK1TYK2PIK3C3RIOK2
SCHEMBL29393227 0.84 ATR (0.46) RIOK2NTRK1SORT1RAB9ASMN1; SMN2
SCHEMBL1133582 0.84 ATR (0.46) RIOK2NTRK1SORT1RAB9ASMN1; SMN2
SCHEMBL28698577 0.84 PIK3C3 (0.48) PIK3C3RIOK2NTRK1SORT1RAB9A
SCHEMBL29899021 0.82 L3MBTL1 (0.55) JAK2JAK1TYK2PIK3C3RIOK2
SCHEMBL355579 0.82 L3MBTL1 (0.55) JAK2JAK1TYK2PIK3C3RIOK2
SCHEMBL1555088 0.81 HPGD (0.54) RIOK2NTRK1RAB9ASMN1; SMN2NPC1
SCHEMBL25600283 0.81 JAK2 (0.52) JAK2JAK1TYK2PIK3C3RAB9A
Ammonia Solution, Strong SCHEMBL28494689 0.81 L3MBTL1 (0.53) JAK2JAK1TYK2PIK3C3RIOK2
SCHEMBL10276435 0.81 TP53 (0.60) JAK2JAK1TYK2SORT1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343720-A1 AAK1 INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-10-17 — — US disclosed
EP-4371980-A1 AAK1 INHIBITOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-05-22 — — EP disclosed
WO-2023284838-A1 AAK1 INHIBITOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 — — 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 (1 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-20240343720-A1 AAK1 INHIBITOR AND USE THEREOF AAK1, ADCK1, ADCK5 JAK2 805/4885JAK1 720/4885TYK2 162/4885

“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.

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