SCHEMBL31025935

SCHEMBL31025935

CCCCc1nc2cnc3ccsc3c2n1CC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.47
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.42
P2RX3 P56373 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.40
CYP2C19 P33261 1/20 0.39
HTT P42858 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
SCHEMBL25257290 1.00 GRIN2B (0.47) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL31025947 0.89 P2RX3 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4P2RX3
SCHEMBL25296504 0.89 P2RX3 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4P2RX3
SCHEMBL26664986 0.88 GRIN2B (0.41) GRIN2BCYP2D6CYP2C9CYP3A4P2RX3
SCHEMBL29030557 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30586083 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31270927 0.86 GRIN2B (0.43) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL25300631 0.86 GRIN2B (0.43) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL25251909 0.86 TLR7 (0.56) TLR7
SCHEMBL31270644 0.85 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2026-02-26 US disclosed
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-08-14 US disclosed
US-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-06-19 US disclosed
EP-4516321-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-03-05 EP disclosed
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2025-01-02 US disclosed
EP-4458830-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2024-11-06 EP disclosed
WO-2023207710-A9 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-25 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 (4 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-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF CD47, ABCB1, EGFR GRIN2B 3643/4885PDE4A 4678/4885PDE4B 4657/4885
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 GRIN2B 4078/4885PDE4A 1690/4885PDE4B 1495/4885
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B1, CYP11B2, CYP2D6 GRIN2B 2257/4885PDE4A 3753/4885PDE4B 3566/4885
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 GRIN2B 4078/4885PDE4A 1690/4885PDE4B 1495/4885

“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.