SCHEMBL22493870

SCHEMBL22493870

Nc1cncc(C(=O)Nc2ccc3cn(C(=O)O)cc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
PLAU P00749 1/20 0.41
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.36
SCN2A Q99250 3/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
IMPDH2 P12268 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
KDR P35968 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL22493891 0.81 RAB9A (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493888 0.78 GRM4 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23234173 0.77 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20873117 0.76 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493871 0.74 F2R (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493892 0.74 F2R (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493875 0.74 AHR (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493876 0.72 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493879 0.69 PTPN1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22493884 0.68 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464289-B1 ULTRA-POTENT VINCA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBULIN DIMER-DIMER INTERFACE SCRIPPS RESEARCH INST (US) 2021-04-21 EP disclosed
US-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-13 US disclosed
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE NATIONAL INSTITUTES OF HEALTH 2020-10-08 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 (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-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface TUBA1C, TUBB2A, TUBA1A NPC1 3312/4885RAB9A 1457/4885SMN1; SMN2 2824/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A NPC1 3345/4885RAB9A 1381/4885SMN1; SMN2 2867/4885

“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.