SCHEMBL15664648

SCHEMBL15664648

COc1cc(-c2ncn(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(N(C)C)cc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
PTK2 Q05397 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
STK16 O75716 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL15665386 0.88 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15665258 0.87 MAPK14 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15664904 0.84 PTK2 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15665430 0.83 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15664486 0.82 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27886237 0.81 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15664766 0.80 KDM4C (0.50) PTK2GAKEGFRMAPK14PLK1
SCHEMBL7113713 0.79 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15665343 0.76 MAPK14 (0.47) EGFRCA2MAPK13MAPK12MAPK11
SCHEMBL15665166 0.76 MAPK13 (0.42) PTK2GAKEGFRCA2MAPK13

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-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US claimed
EP-2730565-B1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-04-26 EP disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
EP-2730565-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2014-05-14 EP disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 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 (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-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A TUBB4A 3/4885TUBB 29/4885TUBA3C 54/4885

“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.