SCHEMBL31245697

SCHEMBL31245697

[2H]C([2H])([2H])Nc1cc(Cl)nn2c(C(=O)OCC)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ TYK2 P29597 4/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ CSNK1D P48730 1/20 0.35

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
SCHEMBL22252383 0.92 TYK2 (0.45) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL1202068 0.82 LMNA (0.44) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL2357169 0.82 LMNA (0.44) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL2358829 0.80 LMNA (0.42) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL18405499 0.78 LMNA (0.41) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL20504573 0.77 IDO1 (0.40) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL18143583 0.76 ADORA1 (0.47) SMN1; SMN2LMNAKMT2AIDO1MAPT
SCHEMBL25397592 0.74 LMNA (0.38) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL14881448 0.73 KMT2A (0.44) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL3720499 0.72 KMT2A (0.46) SMN1; SMN2NPC1RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 — — US 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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 SMN1; SMN2 3828/4885NPC1 4876/4885RAB9A 3088/4885

“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.

Send feedback