SCHEMBL3346509

SCHEMBL3346509

OCC#Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.47
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 3/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 1/20 0.41

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
SCHEMBL31044532 1.00 GRM5 (0.47) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL31036128 0.84 GRM5 (0.45) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL102810 0.84 GRM5 (0.45) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL103774 0.81 CYP1A2 (0.44) GRM5KCNH2CYP1A2FFAR1ALDH1A1
Methyl Alcohol SCHEMBL28902013 0.80 GRM5 (0.67) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL101818 0.80 CYP1A2 (0.50) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL28489131 0.80 FFAR1 (0.43) GRM5FFAR1ERN1
SCHEMBL352291 0.79 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL3907658 0.79 GRM5 (0.47) GRM5KCNH2CYP1A2FFAR1ALDH1A1
SCHEMBL1940910 0.79 GRM5 (0.52) GRM5KCNH2CYP1A2FFAR1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312348-B2 RET inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-05-27 US disclosed
US-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-04-21 US disclosed
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
EP-3891149-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP 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
WO-2020114487-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
US-5217977-A Lipoxygenase inhibitor for treating diseases medicated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
US-5202326-A Inhibitor of enzyme 5-lipoxygenase; antiinflammatory and antiallergic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-13 US disclosed
US-5196419-A Lipoxygenase enzyme inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0372941-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-06-13 EP 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-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, SLC10A2, REL GRM5 126/4885KCNH2 4602/4885CYP1A2 2437/4885
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 GRM5 2220/4885KCNH2 4188/4885CYP1A2 680/4885
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.