SCHEMBL860210

SCHEMBL860210

COc1cc(-c2nncn2-c2ccc3c(ccn3C)c2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 1.00
TUBB P07437 7/20 1.00
TUBA3C P0DPH7 7/20 1.00
TUBA1B P68363 7/20 1.00
TUBA4A P68366 7/20 1.00
TUBB4B P68371 7/20 1.00
TUBB3 Q13509 7/20 1.00
TUBB2A Q13885 7/20 1.00
TUBB8 Q3ZCM7 7/20 1.00
TUBA3E Q6PEY2 7/20 1.00
TUBA1A Q71U36 7/20 1.00
TUBA1C Q9BQE3 7/20 1.00
TUBB6 Q9BUF5 7/20 1.00
TUBB2B Q9BVA1 7/20 1.00
TUBB1 Q9H4B7 7/20 1.00
MAP3K11 Q16584 1/20 0.48
JAK2 O60674 1/20 0.47

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
SCHEMBL860201 0.83 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL860358 0.81 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL859967 0.79 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL860067 0.78 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL412242 0.77 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL860209 0.77 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL860208 0.77 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL860357 0.75 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL860068 0.72 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14619536 0.71 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569350-B2 Anti-mitotic anti-proliferative compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-10-29 US disclosed
US-8569350-B2 Anti-mitotic anti-proliferative compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-10-29 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20120149744-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-06-14 US disclosed
US-20120149744-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-06-14 US disclosed
US-8143299-B2 Anti-mitotic anti-proliferative compounds UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-27 US disclosed
US-8143299-B2 Anti-mitotic anti-proliferative compounds UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-27 US disclosed
WO-2011151423-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2011-12-08 WO disclosed
US-20090317440-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-24 US disclosed
US-20090317440-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-24 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 (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-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB, TUBB1 TUBB4A 6/4885TUBB 2/4885TUBA3C 5/4885
US-20090317440-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS MKI67, PCNA, CCNB2 TUBB4A 100/4885TUBB 96/4885TUBA3C 163/4885
US-20120149744-A1 ANTI-MITOTIC ANTI-PROLIFERATIVE COMPOUNDS MKI67, PCNA, CCNB2 TUBB4A 100/4885TUBB 96/4885TUBA3C 163/4885

“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.