SCHEMBL3020663

SCHEMBL3020663

CC[C@H](O)Cn1nc(Nc2cc(OC)cc(C(F)(F)F)c2)nc1-c1cc(C)nc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ GSK3B P49841 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ KDR P35968 1/20 0.41
▸ SRC P12931 5/20 0.40
▸ ZAP70 P43403 3/20 0.40
▸ SYK P43405 3/20 0.40
▸ STK16 O75716 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38

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
SCHEMBL3020670 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL3013573 0.94 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL3013570 0.94 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL3026142 0.87 LMNA (0.35) HDAC3HDAC1HDAC2HDAC6SRC
SCHEMBL3026134 0.87 LMNA (0.35) HDAC3HDAC1HDAC2HDAC6SRC
SCHEMBL3658064 0.87 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6GSK3B
Hydrochloric Acid SCHEMBL3021462 0.87 LMNA (0.34) HDAC3HDAC1HDAC2HDAC6SRC
SCHEMBL3657156 0.83 GSK3B (0.40) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL13219929 0.82 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL3034086 0.81 LMNA (0.33) SRCJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP claimed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US claimed
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
EP-2212309-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES Janssen Pharmaceutica N.V. (BE) 2010-08-04 — — EP disclosed
WO-2009050186-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2009-04-23 — — 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 (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-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNB1 HDAC3 388/4885HDAC1 733/4885HDAC2 901/4885

“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.

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