SCHEMBL31339746

SCHEMBL31339746

CC(C)n1nnc2c(Br)c(N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25429782 1.00 HPGD (0.38) HPGDHCAR3HCAR2LMNAGRM2
SCHEMBL18510383 0.76 KDM4E (0.38) HPGDHCAR3HCAR2LMNAGRM2
SCHEMBL31339732 0.74 HPGD (0.37) HPGDHCAR3HCAR2LMNAGRM2
SCHEMBL25429938 0.74 HPGD (0.37) HPGDHCAR3HCAR2LMNAGRM2
SCHEMBL31339740 0.73 GRM2 (0.57) HCAR3GRM2
SCHEMBL25429341 0.73 GRM2 (0.57) HCAR3GRM2
SCHEMBL18521198 0.71 ADORA2A (0.41) HPGDHCAR3HCAR2LMNASMN1; SMN2
SCHEMBL7091031 0.70 SMN1; SMN2 (0.46) HCAR3ALDH1A1SMN1; SMN2
SCHEMBL3475847 0.70 GRM2 (0.39) GRM2
SCHEMBL8513025 0.68 GRM2 (0.31) HPGDHCAR3HCAR2GRM2

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.