SCHEMBL22436161

SCHEMBL22436161

N#Cc1cn2c(n1)CC(N)CC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CHEK1 O14757 1/20 0.33
▸ TRPC3 Q13507 1/20 0.30
▸ TRPC6 Q9Y210 1/20 0.30

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 SCHEMBL16341562 0.68 ALDH1A1 (0.55) —
SCHEMBL15017800 0.63 ADRA1A (0.41) HRH3
SCHEMBL16003607 0.63 PDE10A (0.49) —
Hydrochloric Acid SCHEMBL29997143 0.62 ADRA1A (0.40) HRH3
SCHEMBL20766130 0.60 CYP19A1 (0.32) —
SCHEMBL30929230 0.60 AKT2 (0.34) HRH3
SCHEMBL7391451 0.58 CTSS (0.54) HRH3
SCHEMBL17687600 0.58 PANK3 (0.48) HRH3CHEK1
SCHEMBL25103430 0.55 AKT2 (0.32) HRH3
SCHEMBL24493227 0.55 P2RX7 (0.33) —

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-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD (CN) 2022-06-16 — — US disclosed
EP-3939979-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-01-19 — — EP disclosed
WO-2020182159-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2020-09-17 — — 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-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE JAK1, JAK2, JAK3 HRH2 2190/4885HRH1 2290/4885HRH3 2905/4885

“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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