SCHEMBL2975858

SCHEMBL2975858

Clc1ncc(Br)c(-c2cc3cccc(Cl)c3s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FGFR1 P11362 1/20 0.40
BTK Q06187 2/20 0.39
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
ALOX5 P09917 1/20 0.32
IGF1R P08069 2/20 0.31
PSMB8 P28062 1/20 0.31
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL3968806 0.84 CA2 (0.42) FGFR1BTK
SCHEMBL2878980 0.83 BTK (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2975949 0.80 PIK3CA (0.41) FGFR1BTK
SCHEMBL394534 0.80 ABL1 (0.34) FGFR1BTKABL1BCR
SCHEMBL2870401 0.78 BTK (0.33) FGFR1BTK
SCHEMBL3965800 0.73 CA2 (0.41) FGFR1BTK
SCHEMBL3962182 0.72 FGFR1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2985245 0.72 CYP2A6 (0.40) FGFR1BTKJAK2ABL1
SCHEMBL2989620 0.72 CYP2A6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2984648 0.71 CYP2A6 (0.42) BTK

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-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 HDAC3 4202/4885HDAC4 2976/4885HDAC1 2422/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 HDAC3 4202/4885HDAC4 2976/4885HDAC1 2422/4885

“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.