SCHEMBL21473410

SCHEMBL21473410

C#Cc1cccc(Nc2ncnc3cc(OC)cc(OC4CCN(C)CC4(F)F)c23)c1F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 12/20 0.58
▸ EGFR P00533 10/20 0.58
▸ SRC P12931 5/20 0.52
▸ KDR P35968 3/20 0.52

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
SCHEMBL21462165 1.00 ERBB2 (0.58) ERBB2EGFRSRCKDR
SCHEMBL21462181 1.00 ERBB2 (0.58) ERBB2EGFRSRCKDR
SCHEMBL24406222 0.92 ERBB2 (0.56) ERBB2EGFRSRCKDR
SCHEMBL21462174 0.88 EGFR (0.60) ERBB2EGFRSRCKDR
SCHEMBL21462169 0.88 EGFR (0.60) ERBB2EGFRSRCKDR
SCHEMBL21462170 0.88 EGFR (0.60) ERBB2EGFRSRCKDR
SCHEMBL20695031 0.86 EGFR (0.63) ERBB2EGFRKDR
SCHEMBL20695016 0.86 EGFR (0.63) ERBB2EGFRKDR
SCHEMBL20695020 0.86 EGFR (0.63) ERBB2EGFRKDR
SCHEMBL30777161 0.86 EGFR (0.63) ERBB2EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 — — US disclosed
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 — — US disclosed
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 — — US disclosed
CN-110357858-B 5-substituted difluoropiperidine compounds having blood-brain barrier crossing capability 威尚(上海)生物医药有限公司 2022-02-18 — — CN disclosed
EP-3778589-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER Weishang (Shanghai) Bio-Pharmaceutical Co., Ltd. (CN) 2021-02-17 — — EP disclosed
US-20210017159-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUNDS WITH BLOOD-BRAIN BARRIER PENETRABLE CAPABILITY WEISHANG (SHANGHAI) BIO-PHARMACEUTICAL CO., LTD. (CN) 2021-01-21 — — US disclosed
WO-2019196622-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER 威尚(上海)生物医药有限公司 2019-10-17 — — 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 (2 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-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability FYN, KDR, FLT1 ERBB2 7/4885EGFR 11/4885SRC 9/4885
US-20210017159-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUNDS WITH BLOOD-BRAIN BARRIER PENETRABLE CAPABILITY FYN, KDR, FLT1 ERBB2 7/4885EGFR 11/4885SRC 9/4885

“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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