SCHEMBL271362

SCHEMBL271362

Cc1cccn1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
METAP2 P50579 1/20 0.40
POLB P06746 1/20 0.40
F2R P25116 1/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL31590921 0.79 VEGFA (0.54) HDAC8HDAC6POLBKMT2AKDM4E
SCHEMBL1563931 0.79 CNR2 (0.49) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL3195921 0.79 ALDH1A1 (0.52) HDAC8HDAC6POLBKMT2ARAB9A
SCHEMBL28471906 0.78 HDAC3 (0.50) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL7811060 0.78 HDAC8 (0.41) HDAC8HDAC6POLBRAB9AALDH1A1
SCHEMBL31590652 0.78 HDAC8 (0.43) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL12604374 0.78 HDAC8 (0.49) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL9022757 0.76 HDAC3 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL12301203 0.75 MAPT (0.58) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2056309 0.73 ALDH1A1 (0.50) ALDH1A1TSHR

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
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 HDAC8 2653/4885HDAC6 2192/4885HDAC3 3040/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B HDAC8 1407/4885HDAC6 761/4885HDAC3 1049/4885

“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.