SCHEMBL21339635

SCHEMBL21339635

COc1ccc2c(Cl)ncnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
ENPP1 P22413 3/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK7 Q13164 1/20 0.36
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AURKA O14965 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL30940150 1.00 EGFR (0.47) EGFRKMT2ACYP1A2ENPP1ALDH1A1
SCHEMBL28926201 0.79 EGFR (0.47) EGFRKMT2ACYP1A2ENPP1MAPK7
SCHEMBL30940152 0.79 EGFR (0.47) EGFRKMT2ACYP1A2ENPP1MAPK7
SCHEMBL2797267 0.76 ADORA1 (0.40) KMT2AALDH1A1HPGDPDE4APDE4B
SCHEMBL30940151 0.75 KMT2A (0.53) EGFRKMT2ACYP1A2ALDH1A1LMNA
SCHEMBL30442027 0.75 CYP1A2 (0.45) EGFRKMT2ACYP1A2ENPP1ALDH1A1
SCHEMBL20771342 0.75 CYP1A2 (0.45) EGFRKMT2ACYP1A2ENPP1ALDH1A1
SCHEMBL6833680 0.75 PDE4A (0.42) KMT2AALDH1A1LMNASMN1; SMN2PDE4A
SCHEMBL6836394 0.72 EGFR (0.43) EGFRALDH1A1LMNASMN1; SMN2PDE4A
SCHEMBL23386760 0.71 ENPP1 (0.36) KMT2ACYP1A2ENPP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099494-A1 PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF, AND PREPARATION METHODS FOR AND USES OF PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2025-03-27 US disclosed
EP-4467552-A1 PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF, AND PREPARATION METHODS FOR AND USES OF PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-11-27 EP disclosed
CN-118339172-A Phosphonic acid compounds and prodrugs thereof, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-07-12 CN disclosed
CN-117980293-A Hydroxamic acid compound with ENPP1 inhibitory activity and application thereof 上海海和药物研究开发股份有限公司 2024-05-03 CN disclosed
WO-2023138637-A1 PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF, AND PREPARATION METHODS FOR AND USES OF PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF 上海海和药物研究开发股份有限公司 2023-07-27 WO disclosed
WO-2023036289-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-03-16 WO disclosed
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 US disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 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 (2 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-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR MAPK15, MAPKAPK5, MAP3K5 EGFR 316/4885KMT2A 3546/4885CYP1A2 1992/4885
US-20250099494-A1 PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF, AND PREPARATION METHODS FOR AND USES OF PHOSPHONIC ACID COMPOUND AND PRODRUG THEREOF ENPP1, ENPP3, PPA1 EGFR 1844/4885KMT2A 3466/4885CYP1A2 1226/4885

“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.