SCHEMBL1998718

SCHEMBL1998718

Nc1nc(Cl)cc(COCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.47
HSP90AA1 P07900 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADCY10 Q96PN6 6/20 0.42
GHSR Q92847 3/20 0.42
NUDT1 P36639 1/20 0.40
DHODH Q02127 1/20 0.40
DHFR P00374 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL3718901 0.82 HSP90AB1 (0.74) HSP90AB1SMN1; SMN2HSP90AA1KDM4EADCY10
SCHEMBL18004111 0.81 TSHR (0.47) HSP90AB1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL1983321 0.81 TSHR (0.47) TSHRKDM4EGHSRNUDT1
SCHEMBL16398644 0.80 L3MBTL1 (0.55) HSP90AB1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL10901993 0.79 RAB9A (0.56) HSP90AB1SMN1; SMN2HSP90AA1KDM4ENPC1
SCHEMBL18399214 0.79 TSHR (0.44) HSP90AB1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL3715977 0.79 HSP90AB1 (0.56) HSP90AB1SMN1; SMN2HSP90AA1KDM4EADCY10
SCHEMBL18003960 0.78 TSHR (0.43) HSP90AB1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL3718771 0.77 HSP90AB1 (0.49) HSP90AB1SMN1; SMN2HSP90AA1KDM4ERAB9A
SCHEMBL3930094 0.76 NUDT1 (0.62) HSP90AB1SMN1; SMN2TSHRHSP90AA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516420-B1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORP (US) 2018-08-22 EP disclosed
CN-102803248-B As the aminoalkyl pyrimidine of histamine H 4 receptor antagonist MEDICIS PHARMACEUTICAL CORP. (US) 2015-09-16 CN disclosed
US-8901146-B2 Aminoalkylpyrimidine derivatives as histamine H4 receptor antagonists MEDICIS PHARMACEUTICAL CORPORATION (US) 2014-12-02 US disclosed
US-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-01-17 US disclosed
CN-102803248-A Aminoalkylpyrimidine derivatives as histamine H4 receptor antagonists PALAU PHARMA SA 2012-11-28 CN disclosed
EP-2516420-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS Palau Pharma, S.A. (ES) 2012-10-31 EP disclosed
WO-2011076878-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS PALAU PHARMA, S.A. (ES) 2011-06-30 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-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 HSP90AB1 2975/4885SMN1; SMN2 4871/4885TSHR 842/4885

“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.