SCHEMBL21704944

SCHEMBL21704944

O=C(c1c[nH]c2ncnc(N[C@@H]3CCCNC3)c12)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 5/20 0.51
▸ AURKA O14965 3/20 0.51
▸ BTK Q06187 11/20 0.48
▸ JAK3 P52333 4/20 0.47
▸ PDPK1 O15530 3/20 0.46
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL21705069 1.00 RPS6KB1 (0.51) RPS6KB1AURKABTKJAK3PDPK1
Hydrochloric Acid SCHEMBL21678391 0.99 RPS6KB1 (0.50) RPS6KB1AURKABTKJAK3PDPK1
Hydrochloric Acid SCHEMBL21678388 0.99 RPS6KB1 (0.50) RPS6KB1AURKABTKJAK3PDPK1
SCHEMBL21704901 0.97 RPS6KB1 (0.52) RPS6KB1AURKABTKJAK3PDPK1
SCHEMBL21704900 0.97 RPS6KB1 (0.52) RPS6KB1AURKABTKJAK3PDPK1
Hydrochloric Acid SCHEMBL21678645 0.96 RPS6KB1 (0.51) RPS6KB1AURKABTKJAK3PDPK1
Hydrochloric Acid SCHEMBL21678642 0.96 RPS6KB1 (0.51) RPS6KB1AURKABTKJAK3PDPK1
SCHEMBL21678361 0.88 RPS6KB1 (0.53) RPS6KB1AURKABTKJAK3PDPK1
SCHEMBL21678365 0.88 RPS6KB1 (0.53) RPS6KB1AURKABTKJAK3PDPK1
Hydrochloric Acid SCHEMBL31070105 0.87 BTK (0.49) RPS6KB1AURKABTKJAK3PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035373-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS INC (US) 2026-02-05 — — US disclosed
US-12297203-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2025-05-13 — — US disclosed
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
WO-2020033955-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-02-13 — — 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 (3 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-20260035373-A1 PYRROLOPYRIMIDINE ITK INHIBITORS JAK3, JAK1, JAK2 RPS6KB1 805/4885AURKA 367/4885BTK 46/4885
US-12297203-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK RPS6KB1 157/4885AURKA 1216/4885BTK 558/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK RPS6KB1 157/4885AURKA 1216/4885BTK 558/4885

“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.

Send feedback