SCHEMBL21961399

SCHEMBL21961399

Cc1nn(CC(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
PDE2A O00408 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SOS1 Q07889 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL26119608 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CYP3A4TP53MAPT
SCHEMBL20555601 0.83 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2TP53
SCHEMBL20555602 0.83 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2TP53
SCHEMBL20555415 0.83 MAPK1 (0.46) ALDH1A1SMN1; SMN2TP53MAPTPOLB
SCHEMBL18563447 0.83 MAPK1 (0.46) ALDH1A1SMN1; SMN2TP53MAPTPOLB
SCHEMBL20555414 0.83 MAPK1 (0.46) ALDH1A1SMN1; SMN2TP53MAPTPOLB
SCHEMBL21961401 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CYP3A4MAPTPOLB
SCHEMBL23152845 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CYP3A4TSHRL3MBTL1
SCHEMBL18463627 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TP53MAPTPOLB
SCHEMBL16975359 0.79 ALDH1A1 (0.40) ALDH1A1TP53MAPTPOLBL3MBTL1

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
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE ALDH1A1 3872/4885SMN1; SMN2 4338/4885CYP3A4 3479/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 ALDH1A1 1591/4885SMN1; SMN2 4130/4885CYP3A4 2906/4885

“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.