SCHEMBL2988998

SCHEMBL2988998

CN(c1ccccc1)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
PDPK1 O15530 1/20 0.44
EGFR P00533 2/20 0.43
GRIA1 P42261 1/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2975777 0.83 FBP1 (0.41) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL9305341 0.82 PDPK1 (0.45) NPC1RAB9ASMN1; SMN2TSHRPDPK1
SCHEMBL11588590 0.81 CSNK2A1 (0.44) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL4239450 0.78 PDPK1 (0.42) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL8145854 0.78 ALDH1A1 (0.52) SMN1; SMN2TSHRPDPK1EGFRTP53
SCHEMBL11586604 0.78 FFAR1 (0.44) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL11591191 0.77 FFAR1 (0.43) SMN1; SMN2TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL27988328 0.77 ALDH1A1 (0.51) SMN1; SMN2TSHRPDPK1EGFRTP53
SCHEMBL11587401 0.77 FFAR2 (0.47) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL2772989 0.75 LMNA (0.51) NPC1HPGDRAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 NPC1 3409/4885HPGD 2389/4885RAB9A 3433/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 NPC1 3409/4885HPGD 2389/4885RAB9A 3433/4885

“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.