SCHEMBL21474547

SCHEMBL21474547

COc1cc(OC2CCN(C)CC2(F)F)c2c(=O)[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.47
EGFR P00533 8/20 0.47
SRC P12931 3/20 0.36
BRD4 O60885 2/20 0.35
IL17A Q16552 1/20 0.35
KDR P35968 2/20 0.34

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
SCHEMBL29285047 0.83 STS (0.39) ERBB2EGFR
SCHEMBL3275698 0.82 SRC (0.51) EGFRSRCBRD4IL17AKDR
SCHEMBL21886695 0.82 EGFR (0.46) ERBB2EGFRSRCBRD4
SCHEMBL21886642 0.81 ERBB2 (0.46) ERBB2EGFRSRC
SCHEMBL21474538 0.80 ERBB2 (0.53) ERBB2EGFRSRCKDR
SCHEMBL30988726 0.80 ERBB2 (0.53) ERBB2EGFRSRCKDR
SCHEMBL29609262 0.75 PDE3B (0.50) SRCBRD4IL17A
SCHEMBL615784 0.75 PDE3B (0.50) SRCBRD4IL17A
SCHEMBL3282936 0.75 ALDH1A1 (0.41) EGFRSRCBRD4IL17A
SCHEMBL16747788 0.74 KDR (0.40) EGFRSRCBRD4IL17AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN 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
EP-3778589-B1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER WEISHANG SHANGHAI BIO PHARMACEUTICAL CO LTD (CN) 2022-05-11 EP disclosed
CN-112654612-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2021-04-13 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.