SCHEMBL21802602

SCHEMBL21802602

COC(=O)c1c[nH]c(Cc2cccnc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 2/20 0.41
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
AXL P30530 1/20 0.37
HPGD P15428 1/20 0.36
NEK1 Q96PY6 1/20 0.36

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
SCHEMBL25351359 0.79 MAP2K1 (0.42) MAP2K1ALOX15HTTHSP90AA1LMNA
SCHEMBL21802604 0.74 MAP2K1 (0.45) MAP2K1ALOX15HTTLMNASMN1; SMN2
SCHEMBL28073672 0.71 ALDH1A1 (0.46) LMNAGPR84POLBALDH1A1KDM4E
SCHEMBL25352502 0.70 CA12 (0.41) ALOX15LMNAPOLBALDH1A1KDM4E
SCHEMBL25353304 0.70 NPC1 (0.35) HTTHSP90AA1LMNACASP3SENP7
SCHEMBL25356184 0.70 S1PR1 (0.38) CASP3SENP7ALDH1A1MAPTMEN1
SCHEMBL25351968 0.69 NR4A2 (0.39) HTTLMNASMN1; SMN2GPR84POLB
SCHEMBL4126633 0.68 P2RX7 (0.45) HTTHSP90AA1SCN2ASCN10ALMNA
SCHEMBL25351636 0.68 MAP2K1 (0.45) MAP2K1ALOX15HTTPOLBALDH1A1
SCHEMBL21802611 0.68 LIMK2 (0.50) HTTSMN1; SMN2ALDH1A1MAPTMEN1

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
CN-110869369-B Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2022-06-28 CN disclosed
US-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof XIAMEN UNIVERSITY (CN) 2022-04-05 US disclosed
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 US disclosed
EP-3626718-A1 FIVE- AND SIX-MEMBERED AZA-AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATION Xiamen University (CN) 2020-03-25 EP disclosed
CN-110869369-A Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2020-03-06 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 (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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 MAP2K1 737/4885ALOX15 4282/4885HTT 2154/4885
US-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof KRAS, NRAS, RASSF5 MAP2K1 737/4885ALOX15 4282/4885HTT 2154/4885

“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.