SCHEMBL981845

SCHEMBL981845

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)N[C@H]3CC[C@H](NC(=O)COC)CC3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
BTK Q06187 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR4 Q13639 2/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
RAB9A P51151 1/20 0.38
CD38 P28907 7/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL984117 1.00 KDM4E (0.43) KDM4EBTKMEN1KMT2AHTR4
SCHEMBL984754 0.94 HTR4 (0.40) KDM4EBTKMEN1KMT2AHTR4
SCHEMBL983455 0.92 KDM4E (0.42) KDM4EBTKMEN1KMT2AHTR4
SCHEMBL984888 0.92 KDM4E (0.42) KDM4EBTKMEN1KMT2AHTR4
SCHEMBL985809 0.92 HTR4 (0.41) KDM4EBTKHTR4GRIN1GRIN2B
SCHEMBL981844 0.92 HTR4 (0.41) KDM4EBTKHTR4GRIN1GRIN2B
SCHEMBL982770 0.91 BTK (0.47) KDM4EBTKHTR4CD38SMYD3
SCHEMBL981989 0.91 BTK (0.47) KDM4EBTKHTR4CD38SMYD3
SCHEMBL982971 0.91 HTR4 (0.40) KDM4EBTKMEN1KMT2AHTR4
SCHEMBL983576 0.91 HTR4 (0.40) KDM4EBTKMEN1KMT2AHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KDM4E 1035/4885BTK 1977/4885MEN1 2783/4885

“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.