SCHEMBL3214201

SCHEMBL3214201

O=C(NN1CCNCC1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
HTT P42858 1/20 0.48
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
HDAC3 O15379 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC1 Q13547 3/20 0.41
ATR Q13535 1/20 0.39
HTR2B P41595 1/20 0.39
SRC P12931 1/20 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
Hydrochloric Acid SCHEMBL3216407 0.99 HPGDS (0.48) HPGDSHTTCNR1KCNH2SIGMAR1
Tert-Butyl Formate SCHEMBL27773652 0.88 HPGDS (0.39) HPGDSHTTCNR1KCNH2CCNC
SCHEMBL3224385 0.87 HTT (0.64) HPGDSHTTCNR1
SCHEMBL3224567 0.86 HTT (0.67) HPGDSHTTCNR1
SCHEMBL12083635 0.83 CYP2D6 (0.54) HPGDSHTTCNR1
SCHEMBL3223229 0.83 SMN1; SMN2 (0.54) HPGDSHTTCNR1
SCHEMBL717372 0.82 HTT (0.69) HTTSIGMAR1HDAC3HDAC2HDAC1
SCHEMBL14313249 0.82 LIPE (0.42) HPGDSCNR1KCNH2SIGMAR1CCNC
SCHEMBL12083951 0.81 CKS1B (0.47) HPGDSHTTCNR1HDAC3HDAC2
SCHEMBL3795816 0.80 HPGDS (0.49) HPGDSHTTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885HTT 2449/4885CNR1 211/4885

“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.