SCHEMBL2989620

SCHEMBL2989620

Clc1ncc(Br)c(-c2cc3cnccc3s2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.40
TGFBR1 P36897 12/20 0.37
BTK Q06187 1/20 0.34
TGFB2 P61812 1/20 0.34
MAPK14 Q16539 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NQO2 P16083 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL2985245 0.89 CYP2A6 (0.40) CYP2A6TGFBR1BTKNQO2ADORA2A
SCHEMBL2975949 0.83 PIK3CA (0.41) BTKNQO2ADORA2A
SCHEMBL5148356 0.80 CYP2A6 (0.34) CYP2A6TGFBR1BTK
SCHEMBL2985054 0.76 PDE3B (0.46) HDAC6
SCHEMBL2975770 0.75 SMN1; SMN2 (0.39) BTK
SCHEMBL2976312 0.74 CA2 (0.42)
SCHEMBL2975068 0.74 BTK (0.32) BTK
SCHEMBL2977525 0.74 TRPM5 (0.33) BTK
SCHEMBL2975858 0.72 HDAC3 (0.40) BTKHDAC3HDAC1HDAC2HDAC8
SCHEMBL2984648 0.71 CYP2A6 (0.42) CYP2A6BTK

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 9 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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN 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
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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 CYP2A6 4271/4885TGFBR1 4084/4885BTK 1459/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CYP2A6 4271/4885TGFBR1 4084/4885BTK 1459/4885

“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.