Sugi Predict

Sugi Predict / Compounds / SCHEMBL18299043

SCHEMBL18299043

SCHEMBL18299043

Cc1cc(N)cc(C(F)(F)F)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.64
▸ HSP90AB1 P08238 1/20 0.64
▸ ADORA2A P29274 6/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CHKA P35790 1/20 0.38
▸ ADORA2B P29275 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ NR2E1 Q9Y466 1/20 0.37
▸ CDK8 P49336 1/20 0.36

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
SCHEMBL31493136 0.85 HSP90AA1 (0.47) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL8788157 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1HSD17B10KDM4E
SCHEMBL29739588 0.80 KDM4E (0.46) HSP90AA1HSP90AB1ALDH1A1HSD17B10KDM4E
SCHEMBL23344929 0.78 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1HSD17B10KDM4E
SCHEMBL5361699 0.78 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL23608618 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL14927264 0.77 HSP90AA1 (0.57) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL10271822 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL21731003 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL16579591 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 — — US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 — — US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 — — US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 — — US disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 — — WO disclosed
WO-2022146698-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-07-07 — — WO disclosed
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 — — WO disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 — — US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 — — US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 — — CN disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 — — US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 — — US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 — — EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — 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 (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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885ADORA2A 446/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 HSP90AA1 2394/4885HSP90AB1 1374/4885ADORA2A 1136/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885ADORA2A 446/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885ADORA2A 446/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885ADORA2A 446/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885ADORA2A 446/4885

“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.