SCHEMBL21582002

SCHEMBL21582002

Cc1nc(Cl)c(C=O)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
MPI P34949 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERN1 O75460 4/20 0.39
PRKDC P78527 1/20 0.36
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDR P35968 3/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10735089 0.80 CYP3A4 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL29514101 0.77 PRKDC (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL25347030 0.77 PRKDC (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL25251476 0.74 NQO2 (0.39) CYP1A2CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL30309241 0.74 NQO2 (0.39) CYP1A2CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL22579464 0.73 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL17408873 0.73 ALDH1A1 (0.37) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL20361147 0.73 LMNA (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL1558796 0.69 LMNA (0.39) CYP3A4ALDH1A1LMNAHPGDAPOBEC3G
SCHEMBL15972382 0.69 KEAP1 (0.38) ALDH1A1LMNAHPGDAPOBEC3G

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
CN-111801328-B Autotaxin inhibitors and uses thereof 四川海思科制药有限公司 2023-06-02 CN disclosed
US-11040972-B2 Autotaxin inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-22 US disclosed
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-11-12 US disclosed
EP-3728257-A1 AUTOTAXIN INHIBITORS AND USES THEREOF Fronthera U.S. Pharmaceuticals LLC (US) 2020-10-28 EP disclosed
US-10711000-B2 Autotaxin inhibitors and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-07-14 US disclosed
WO-2019228403-A1 AUTOTAXIN INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-12-05 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 (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-10711000-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 CYP1A2 4592/4885CYP3A4 4633/4885CYP2D6 4700/4885
US-11040972-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 CYP1A2 4592/4885CYP3A4 4633/4885CYP2D6 4700/4885
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 CYP1A2 4592/4885CYP3A4 4633/4885CYP2D6 4700/4885

“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.