SCHEMBL13723686

SCHEMBL13723686

Cc1c(CO)cc(Cl)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
FFAR1 O14842 1/20 0.35
CYP2C19 P33261 2/20 0.33
PDXK O00764 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
S1PR2 O95136 1/20 0.31
SHBG P04278 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
SCHEMBL30415247 0.83 KMT2A (0.43) ALDH1A1KDM4EKMT2AMEN1FFAR1
SCHEMBL24174043 0.83 KMT2A (0.43) ALDH1A1KDM4EKMT2AMEN1FFAR1
SCHEMBL15164737 0.81 FFAR1 (0.36) ALDH1A1KDM4EKMT2AMEN1FFAR1
SCHEMBL6441695 0.78 PDXK (0.35) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL903627 0.77 PDXK (0.42) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL3948804 0.75 CYP2D6 (0.37) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL30416243 0.75 KDM4E (0.33) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL18703689 0.75 KDM4E (0.33) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL18068167 0.74 PDE10A (0.35) PDE4D
SCHEMBL30415938 0.73 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1FFAR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116134022-B ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2025-03-18 CN disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
CN-116134022-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-05-16 CN disclosed
EP-4175948-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-05-10 EP disclosed
WO-2022002245-A1 ATR INHIBITORS AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-01-06 WO disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US 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-20230339927-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 ALDH1A1 4462/4885KDM4E 2648/4885KMT2A 1960/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 ALDH1A1 1143/4885KDM4E 212/4885KMT2A 772/4885

“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.