Vinblastine

Vinblastine

SCHEMBL17813675

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Vinblastine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 6/20 1.00
TUBB known ✓ P07437 6/20 1.00
TUBA3C known ✓ P0DPH7 6/20 1.00
TUBA1B known ✓ P68363 6/20 1.00
TUBA4A known ✓ P68366 6/20 1.00
TUBB4B known ✓ P68371 6/20 1.00
TUBB3 known ✓ Q13509 6/20 1.00
TUBB2A known ✓ Q13885 6/20 1.00
TUBB8 known ✓ Q3ZCM7 6/20 1.00
TUBA3E known ✓ Q6PEY2 6/20 1.00
TUBA1A known ✓ Q71U36 6/20 1.00
TUBA1C known ✓ Q9BQE3 6/20 1.00
TUBB6 known ✓ Q9BUF5 6/20 1.00
TUBB2B known ✓ Q9BVA1 6/20 1.00
TUBB1 known ✓ Q9H4B7 6/20 1.00
MAPT P10636 8/20 1.00
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
LMNA P02545 6/20 1.00
CYP3A4 P08684 6/20 1.00

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
Vinblastine SCHEMBL3628 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL18593671 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL3629 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14107274 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL6146 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL153952 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL19884331 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL22450052 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL22022258 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL15745871 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB

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
US-20200087297-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2020-03-19 US disclosed
US-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-02-11 US disclosed
US-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2017-08-17 US disclosed
US-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2017-08-17 US disclosed
WO-2016090050-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (3 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-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF H1-5, H1-4, CD47 TUBB4A 56/4885TUBB 32/4885TUBA3C 105/4885
US-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof H1-5, H1-4, CD47 TUBB4A 56/4885TUBB 32/4885TUBA3C 105/4885
US-20200087297-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF H1-5, H1-4, CD47 TUBB4A 56/4885TUBB 32/4885TUBA3C 105/4885

“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.