Sugi Predict

Sugi Predict / Compounds / SCHEMBL235218

SCHEMBL235218

SCHEMBL235218

O=C1CCc2cc3ccccn3c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL13279282 0.78 SRD5A1 (0.35) CYP2A6
SCHEMBL73966 0.75 TSHR (0.39) L3MBTL1MAPTRAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL10916201 0.74 TSHR (0.38) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL9394927 0.68 CRBN (0.38) —
SCHEMBL8447698 0.68 TBXAS1 (0.36) L3MBTL1MAPTRAB9ANPC1CYP1A2
SCHEMBL9387361 0.67 LMNA (0.47) CYP2A6L3MBTL1MAPTRAB9ANPC1
SCHEMBL7278399 0.67 MAOA (0.42) CYP2A6L3MBTL1MAPTRAB9ANPC1
SCHEMBL8325904 0.65 CRBN (0.38) —
SCHEMBL8452787 0.65 TBXAS1 (0.36) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL8325790 0.65 MEN1 (0.38) L3MBTL1MAPTRAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 — — US disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 — — US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 — — US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 — — US disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 — — EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 — — EP disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 — — EP disclosed
EP-3294712-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD Pharmaceuticals, Inc. (US) 2018-03-21 — — EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 — — US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 — — US disclosed
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-08-18 — — US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 — — WO disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 — — US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 — — US disclosed
EP-1915372-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2008-04-30 — — EP disclosed
WO-2007019675-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2007-02-22 — — WO disclosed
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 — — EP disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 — — EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 — — US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 — — 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 (6 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 CYP2A6 2240/4885L3MBTL1 4222/4885MAPT 3083/4885
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MC2R, HRH2, PTGDR CYP2A6 491/4885L3MBTL1 4543/4885MAPT 4638/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 CYP2A6 3289/4885L3MBTL1 4071/4885MAPT 256/4885
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, MTNR1B, MTNR1A CYP2A6 355/4885L3MBTL1 2996/4885MAPT 3744/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 CYP2A6 3678/4885L3MBTL1 4353/4885MAPT 164/4885
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 CYP2A6 2204/4885L3MBTL1 2619/4885MAPT 1232/4885

“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.