SCHEMBL2973279

SCHEMBL2973279

c1ccc(C2CNCc3ccsc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
DRD1 P21728 8/20 0.44
DRD2 P14416 4/20 0.44
KIF11 P52732 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.40
PNMT P11086 1/20 0.38
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
DRD5 P21918 2/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 2/20 0.37
THPO P40225 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37

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
SCHEMBL7275760 0.84 TAAR1 (0.56) CYP3A4MEN1CYP2D6KMT2ADRD1
Hydrochloric Acid SCHEMBL7267581 0.83 TAAR1 (0.59) CYP3A4MEN1CYP2D6KMT2ADRD1
SCHEMBL7343927 0.77 MAPK1 (0.64) CYP3A4DRD1DRD2TAAR1LMNA
Bromide SCHEMBL11037630 0.76 KDM4E (0.65) CYP3A4DRD1DRD2TAAR1LMNA
SCHEMBL10928947 0.75 MAPK1 (0.61) CYP3A4MEN1CYP2D6KMT2ADRD1
SCHEMBL5435049 0.74 LMNA (0.38) CYP3A4MEN1CYP2D6KMT2ADRD1
SCHEMBL11038354 0.74 PDE4A (0.40) CYP3A4TAAR1LMNAKDM4EHPGD
SCHEMBL8800661 0.72 PNMT (0.42) DRD2TAAR1PNMTHTR2AADRA2C
SCHEMBL1076323 0.72 CYP3A4 (1.00) CYP3A4MEN1CYP2D6KMT2ADRD1
SCHEMBL15096889 0.72 CYP3A4 (1.00) CYP3A4MEN1CYP2D6KMT2ADRD1

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 5 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
US-4104390-A ANTIINFLAMMATORY, ANTICOAGULANT PARCOR (FR) 1978-08-01 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 (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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 CYP3A4 4506/4885MEN1 3920/4885CYP2D6 3228/4885

“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.