SCHEMBL3907658

SCHEMBL3907658

BrCC#Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.47
KCNH2 Q12809 2/20 0.46
CYP1A2 P05177 3/20 0.44
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31044589 1.00 GRM5 (0.47) GRM5KCNH2CYP1A2FFAR1ALDH1A1
Bromide SCHEMBL9022877 0.98 GRM5 (0.46) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL101956 0.81 GRM5 (0.43) GRM5KCNH2CYP1A2FFAR1
SCHEMBL102936 0.80 GRM5 (0.42) GRM5KCNH2CYP1A2FFAR1
SCHEMBL352291 0.79 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL4430043 0.79 GRM5 (0.47) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL31044532 0.79 GRM5 (0.47) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL1940910 0.79 GRM5 (0.52) GRM5KCNH2CYP1A2FFAR1
SCHEMBL3346509 0.79 GRM5 (0.47) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL408472 0.76 GRM5 (0.49) GRM5KCNH2CYP1A2

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
EP-3891149-B1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2026-01-28 EP disclosed
US-12312348-B2 RET inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-05-27 US disclosed
CN-117843515-A Aromatic amino acid derivative as LAT1 inhibitor and preparation method and application thereof 中国药科大学 2024-04-09 CN disclosed
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-05-05 US disclosed
US-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO disclosed
CN-111285874-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2020-06-16 CN disclosed
CN-111285873-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2020-06-16 CN disclosed
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
US-6992069-B2 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2006-01-31 US disclosed
EP-1501846-A1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2005-02-02 EP disclosed
US-20040029818-A1 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2004-02-12 US disclosed
WO-2003093289-A1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-11-13 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 (4 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-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, SLC10A2, REL GRM5 126/4885KCNH2 4602/4885CYP1A2 2437/4885
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, REL, SLC10A2 GRM5 282/4885KCNH2 4674/4885CYP1A2 2897/4885
US-20040029818-A1 Tricyclic macrolide antibacterial compounds RPN1, CASP1, MRPL21 GRM5 4674/4885KCNH2 2062/4885CYP1A2 179/4885
US-12312348-B2 RET inhibitors, pharmaceutical compositions and uses thereof RET, SLC10A2, REL GRM5 126/4885KCNH2 4602/4885CYP1A2 2437/4885

“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.