SCHEMBL16775466

SCHEMBL16775466

Cc1cnc2[nH]cc(B3OC(C)(C)C(C)(C)O3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.33
CYP3A4 P08684 6/20 0.33
CYP2C9 P11712 5/20 0.33
BRD4 O60885 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL31152368 1.00 CYP2C19 (0.33) CYP2C19CYP3A4CYP2C9BRD4GSK3A
SCHEMBL12573129 0.84 JAK2 (0.43) CYP2C19CYP3A4CYP2C9
SCHEMBL31152357 0.84 JAK2 (0.43) CYP2C19CYP3A4CYP2C9
SCHEMBL18270927 0.84 AURKA (0.43) GSK3AGSK3B
SCHEMBL14685262 0.84 GSK3A (0.38) CYP3A4CYP2C9GSK3AGSK3B
SCHEMBL5138075 0.78 RPS6KA5 (0.37)
SCHEMBL22883506 0.77 PDK2 (0.36)
SCHEMBL21961971 0.76 MAPK1 (0.42)
SCHEMBL12572870 0.76 KIT (0.50) GSK3B
SCHEMBL20315297 0.75 MAPK1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692089-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR Alicorn Pharmaceutical Co., Ltd. (CN) 2026-02-11 EP disclosed
WO-2024207945-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR 艾立康药业股份有限公司 2024-10-10 WO disclosed
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-06-07 US disclosed
US-9908878-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-06 US disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
US-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-9394302-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9051319-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US 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-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 CYP2C19 565/4885CYP3A4 2372/4885CYP2C9 1587/4885
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 CYP2C19 565/4885CYP3A4 2372/4885CYP2C9 1587/4885
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 CYP2C19 565/4885CYP3A4 2372/4885CYP2C9 1587/4885

“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.