SCHEMBL1489601

SCHEMBL1489601

Cc1cc(C)n(-c2cc(N)nc(Cl)n2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
UBE2T Q9NPD8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 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
SCHEMBL15305727 0.83 TSHR (0.77) TSHRSMN1; SMN2HTTHSD17B10MEN1
SCHEMBL25186990 0.77 TSHR (0.73) TSHRSMN1; SMN2HTTHSD17B10MEN1
SCHEMBL1489805 0.74 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL31388502 0.74 SMN1; SMN2 (0.59) TSHRSMN1; SMN2HTTHSD17B10MEN1
SCHEMBL2812766 0.73 HTT (0.73) TSHRSMN1; SMN2HTTMEN1CYP2C9
SCHEMBL12767146 0.73 HTT (0.71) TSHRSMN1; SMN2HTTMEN1CYP2C9
SCHEMBL19100367 0.73 MAPT (0.51) TSHRSMN1; SMN2HTTHSD17B10MEN1
SCHEMBL1490077 0.73 ADORA2A (0.57) TSHRHSD17B10MEN1CYP2C9CYP2C19
SCHEMBL5022228 0.73 SMN1; SMN2 (0.50) TSHRSMN1; SMN2HTTHSD17B10MEN1
SCHEMBL21144202 0.73 HTT (0.68) SMN1; SMN2HTTMEN1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP disclosed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 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-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 TSHR 155/4885SMN1; SMN2 3387/4885HTT 4400/4885

“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.