SCHEMBL11900604

SCHEMBL11900604

Cc1ccc2cc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPT P10636 4/20 0.64
TDP1 Q9NUW8 1/20 0.63
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ALOX15 P16050 1/20 0.61
CREBBP Q92793 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TP53 P04637 2/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 1/20 0.56
EGFR P00533 1/20 0.56
PTGS2 P35354 1/20 0.55

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
SCHEMBL29345084 0.81 MAPT (0.95) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL11812589 0.76 LMNA (0.94) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL28136975 0.74 PSMB5 (0.53) LMNASMN1; SMN2CYP1A2MAPTTDP1
SCHEMBL17200137 0.74 POLB (0.60) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL29345144 0.73 MAPT (0.90) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL11810697 0.73 LMNA (1.00) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL18330251 0.73 LMNA (0.72) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL18330249 0.72 TDP1 (0.73) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8241042 0.72 TDP1 (0.84) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2203214 0.72 CA12 (0.57) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
WO-2011026835-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 LMNA 4333/4885SMN1; SMN2 4562/4885CYP1A2 1279/4885

“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.