SCHEMBL29914939

SCHEMBL29914939

O=c1[nH]cc(F)c2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.49
DAO P14920 3/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
AR P10275 1/20 0.41
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PARP3 Q9Y6F1 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
HTR2A P28223 2/20 0.39
MPO P05164 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL31308904 0.81 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL18164452 0.81 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL29914870 0.81 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL16650445 0.81 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL28803101 0.81 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL12241459 0.81 PARP1 (0.46) PARP1DAOALDH1A1LMNAPOLB
SCHEMBL22473899 0.81 CHEK1 (0.46) ALDH1A1LMNAMAPTERCC1ERCC4
SCHEMBL3312070 0.81 PARP1 (0.49) PARP1ALDH1A1LMNAMAPTAR
SCHEMBL12240943 0.79 AR (0.38) PARP1DAOALDH1A1LMNAMAPT
SCHEMBL2920231 0.78 KDM4E (0.62) PARP1DAOALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100998-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-03-27 US disclosed
WO-2025024811-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 WO disclosed
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 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-20250100998-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 PARP1 1/4885DAO 4363/4885ALDH1A1 1171/4885
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 PARP1 2516/4885DAO 1710/4885ALDH1A1 1521/4885

“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.