SCHEMBL22493875

SCHEMBL22493875

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cccnn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
P2RX7 Q99572 1/20 0.44
KDR P35968 3/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ACKR3 P25106 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PABPC1 P11940 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 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
SCHEMBL22493888 0.79 GRM4 (0.58) KMT2AMEN1P2RX7KDRNPC1
SCHEMBL22493891 0.78 RAB9A (0.67) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL22493876 0.76 NPC1 (0.46) KMT2AMEN1RAF1BRAFNPC1
SCHEMBL22493871 0.75 F2R (0.48) KMT2AMEN1KDRNPC1RAB9A
SCHEMBL31025870 0.75 AHR (0.69) AHRKMT2AMEN1P2RX7KDR
SCHEMBL22493870 0.74 NPC1 (0.43) KMT2AMEN1KDRNPC1RAB9A
SCHEMBL20873113 0.74 AHR (0.54) AHRKMT2AMEN1P2RX7RAF1
SCHEMBL23234173 0.73 RAB9A (0.48) KMT2AMEN1BRAFNPC1RAB9A
SCHEMBL22493879 0.73 PTPN1 (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL22493874 0.72 TLK2 (0.40) KMT2AMEN1KDRNPC1RAB9A

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 AHR 3606/4885KMT2A 1808/4885MEN1 2431/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A AHR 3879/4885KMT2A 1553/4885MEN1 2381/4885

“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.