SCHEMBL21473403

SCHEMBL21473403

COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3c(F)ccc4c3OCO4)ncnc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.65
KDR P35968 9/20 0.65
EGFR P00533 7/20 0.58
ERBB2 P04626 5/20 0.58
BMPR1B O00238 1/20 0.49
GAK O14976 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
HCK P08631 1/20 0.49
PDGFRB P09619 1/20 0.49
FGR P09769 1/20 0.49
KIT P10721 1/20 0.49

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
SCHEMBL21474550 1.00 SRC (0.65) SRCKDREGFRERBB2BMPR1B
SCHEMBL21473415 1.00 SRC (0.65) SRCKDREGFRERBB2BMPR1B
SCHEMBL22901476 0.93 SRC (0.57) SRCKDREGFRERBB2BMPR1B
SCHEMBL22901491 0.93 SRC (0.57) SRCKDREGFRERBB2BMPR1B
SCHEMBL22901501 0.93 SRC (0.57) SRCKDREGFRERBB2BMPR1B
SCHEMBL21473391 0.92 SRC (0.77) SRCKDREGFRERBB2BMPR1B
SCHEMBL21473393 0.92 SRC (0.77) SRCKDREGFRERBB2BMPR1B
SCHEMBL21473401 0.92 SRC (0.77) SRCKDREGFRERBB2BMPR1B
SCHEMBL21473394 0.91 SRC (0.56) SRCKDREGFRERBB2BMPR1B
SCHEMBL21473413 0.91 SRC (0.56) SRCKDREGFRERBB2BMPR1B

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 5 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
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
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 SRC 9/4885KDR 2/4885EGFR 11/4885
US-20210017159-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUNDS WITH BLOOD-BRAIN BARRIER PENETRABLE CAPABILITY FYN, KDR, FLT1 SRC 9/4885KDR 2/4885EGFR 11/4885

“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.