SCHEMBL31339732

SCHEMBL31339732

CC(C)n1nnc2c(Br)c([N+](=O)[O-])ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
BRD4 O60885 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
CTSB P07858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL25429938 1.00 HPGD (0.37) HPGDHCAR3HCAR2ALDH1A1MAPT
SCHEMBL11592105 0.79 TDP1 (0.41) ALDH1A1MAPTSMN1; SMN2TDP1LMNA
SCHEMBL11406485 0.74 HPGD (0.37) HPGDHCAR3HCAR2ALDH1A1MAPT
SCHEMBL25428025 0.74 CREBBP (0.35) ALDH1A1MAPTBRD4SMN1; SMN2TDP1
SCHEMBL25429782 0.74 HPGD (0.38) HPGDHCAR3HCAR2ALDH1A1SMN1; SMN2
SCHEMBL31339746 0.74 HPGD (0.38) HPGDHCAR3HCAR2ALDH1A1SMN1; SMN2
SCHEMBL19911536 0.68 HCAR3 (0.55) HPGDHCAR3HCAR2ALDH1A1MAPT
SCHEMBL11754124 0.67 MEN1 (0.43) HCAR3MAPTSMN1; SMN2TDP1LMNA
SCHEMBL5288329 0.66 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5274943 0.65 CYP1A2 (0.34) ALDH1A1MAPTSMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SHENZHEN YUANLI SHENWAN INNOVATIVE MEDICINE CO LTD (CN) 2025-04-17 US disclosed
CN-119365192-A Heteroaryl compounds as HPK1 inhibitors and methods of use thereof 深圳市原力深湾创新药有限公司 2025-01-24 CN 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 (1 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-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SGK1, HYPK, PCK1 HPGD 418/4885HCAR3 253/4885HCAR2 440/4885

“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.