SCHEMBL1898809

SCHEMBL1898809

Cc1csc2ncnc(C(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
CSNK2A2 P19784 6/20 0.40
CSNK2B P67870 6/20 0.40
CSNK2A1 P68400 6/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
MAP4K4 O95819 5/20 0.39
LCK P06239 5/20 0.39
RPS6KA3 P51812 5/20 0.39
MAP4K2 Q12851 5/20 0.39
CLK4 Q9HAZ1 5/20 0.39
CLK2 P49760 4/20 0.39
TAOK1 Q7L7X3 4/20 0.39
PLK4 O00444 4/20 0.39

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
SCHEMBL1901292 0.74 MAP4K4 (0.53) PIP4K2CMRGPRX1CSNK2A1IRAK4MAP4K4
SCHEMBL422306 0.74 MRGPRX1 (0.47) POLBLMNAGAAPKMPIP4K2C
SCHEMBL16333140 0.72 NPSR1 (0.67) POLBCSNK2A2CSNK2BCSNK2A1NPSR1
SCHEMBL3343117 0.72 LMNA (0.50) POLBLMNAGAAPKMPIP4K2C
SCHEMBL1902854 0.71 ALDH1A1 (0.43) POLBLMNAGAAPKMPIP4K2C
SCHEMBL1905402 0.71 MRGPRX1 (0.45) POLBLMNAGAAPKMPIP4K2C
SCHEMBL438061 0.71 MAPT (0.53) POLBLMNAGAAPKMPIP4K2C
SCHEMBL10404544 0.70 EGLN1 (0.40) POLBMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1898735 0.70 GABRP (0.40) POLBLMNAGAAPKMPIP4K2C
SCHEMBL13019361 0.68 MRGPRX1 (0.43) POLBLMNAGAAPKMPIP4K2C

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-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 POLB 2075/4885LMNA 4824/4885GAA 3083/4885

“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.