SCHEMBL21248383

SCHEMBL21248383

Cn1ncc(OCCOCc2ccccc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
PTK2B Q14289 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
SRD5A2 P31213 2/20 0.38
SRD5A1 P18405 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL21248366 0.90 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19PKMMAOA
SCHEMBL1758499 0.88 PKM (0.48) PKMTDP1P4HTMSRD5A2SRD5A1
SCHEMBL21324101 0.81 EGLN1 (0.39) MAOAMAOBALDH1A1KMT2APTK2B
SCHEMBL30876088 0.78 LMNA (0.45) CYP1A2CYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL21248016 0.78 LMNA (0.47) CYP1A2CYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL30876057 0.78 LMNA (0.47) CYP1A2CYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL21247818 0.78 LMNA (0.45) CYP1A2CYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL30876060 0.76 LMNA (0.45) CYP1A2CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL21248131 0.73 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28473926 0.72 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 EP disclosed
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
EP-3749669-B1 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2023-03-08 EP disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 US disclosed
US-20210002297-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-01-07 US disclosed
US-20210002297-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-01-07 US disclosed
EP-3749669-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2020-12-16 EP disclosed
US-10815250-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2020-10-27 US disclosed
US-10815250-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2020-10-27 US disclosed
CN-111683950-A AhR modulators 伊迪亚生物科学有限公司 2020-09-18 CN disclosed
US-20190270754-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2019-09-05 US disclosed
US-20190270754-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2019-09-05 US disclosed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO disclosed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 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-11407764-B2 AhR modulators AHR, ARNT, RORB CYP1A2 39/4885CYP2D6 123/4885CYP2C19 347/4885
US-20230039955-A1 AhR MODULATORS AHR, ARNT, RORB CYP1A2 38/4885CYP2D6 123/4885CYP2C19 342/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB CYP1A2 39/4885CYP2D6 123/4885CYP2C19 347/4885
US-10815250-B2 AhR modulators AHR, ARNT, RORB CYP1A2 39/4885CYP2D6 123/4885CYP2C19 347/4885
US-20210002297-A1 AhR MODULATORS AHR, ARNT, RORB CYP1A2 39/4885CYP2D6 123/4885CYP2C19 347/4885
US-20190270754-A1 AhR MODULATORS AHR, ARNT, RORB CYP1A2 39/4885CYP2D6 123/4885CYP2C19 347/4885

“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.