SCHEMBL264111

SCHEMBL264111

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
JAK2 O60674 1/20 0.50
PIK3CA P42336 3/20 0.49
LRRK2 Q5S007 3/20 0.48
ACVRL1 P37023 1/20 0.47
DHFR P00374 1/20 0.46
PTAFR P25105 1/20 0.46
USP7 Q93009 1/20 0.44
PIK3CD O00329 1/20 0.44
MTOR P42345 1/20 0.44
ACVR1 Q04771 1/20 0.44
CSF1R P07333 1/20 0.44

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
SCHEMBL264964 0.85 USP7 (0.58) LRRK2DHFRUSP7PIK3CD
SCHEMBL17907568 0.84 LMNA (0.54) PIK3CADHFRACVR1
SCHEMBL2558872 0.81 DHFR (0.60) PIK3CADHFRPIK3CDMTOR
SCHEMBL29557223 0.80 ACHE (0.57) ACVR1
SCHEMBL4473290 0.74 POLB (0.53) JAK2
SCHEMBL1612996 0.74 PIK3CA (0.44) PIK3CALRRK2DHFRMTOR
SCHEMBL4472978 0.74 HRH3 (0.56) HRH3DHFR
SCHEMBL13266893 0.74 HRH3 (0.82) HRH3JAK2
SCHEMBL2237239 0.74 DHFR (0.54) HRH3DHFR
SCHEMBL15467001 0.72 HRH3 (0.87) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 HRH3 1487/4885JAK2 1/4885PIK3CA 158/4885

“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.