SCHEMBL20944147

SCHEMBL20944147

CCOc1cc(Br)cnc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
EGFR P00533 3/20 0.38
ERBB2 P04626 3/20 0.38
PKM P14618 1/20 0.38
PDE3A Q14432 1/20 0.37
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CHEK1 O14757 1/20 0.34
LMNA P02545 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL1629163 0.82 USP8 (0.38) EGFRERBB2HPGDSMN1; SMN2CHEK1
SCHEMBL22978654 0.81 GRM5 (0.41) GRM5PKMHPGDSMN1; SMN2TRPV4
SCHEMBL22990496 0.80 PKM (0.36) GRM5EGFRERBB2PKMPDE3A
SCHEMBL20944235 0.79 PKM (0.38) GRM5PKMHPGDSMN1; SMN2TRPV4
SCHEMBL20944096 0.79 ALDH1A1 (0.39) SMN1; SMN2CHEK1KDM4EHSD17B10
SCHEMBL612377 0.78 GRM5 (0.49) GRM5HPGDSMN1; SMN2LMNAGABRA1
SCHEMBL22990294 0.78 PKM (0.35) GRM5EGFRERBB2PKMHPGD
SCHEMBL20607927 0.76 GCK (0.46) SMN1; SMN2GABRG2GABRB3GABRA5GABRA3
SCHEMBL21291554 0.76 AR (0.32) CHEK1
SCHEMBL21291538 0.76 AR (0.32) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 GRM5 326/4885EGFR 398/4885ERBB2 1242/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 GRM5 742/4885EGFR 3392/4885ERBB2 3701/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 GRM5 326/4885EGFR 398/4885ERBB2 1242/4885

“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.