SCHEMBL6014176

SCHEMBL6014176

O=c1c2cc(I)ccc2ncn1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 4/20 0.65
GRK1 Q15835 2/20 0.60
GRK5 P34947 1/20 0.60
MMP13 P45452 9/20 0.57
SCD O00767 2/20 0.52
TNF P01375 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51

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
SCHEMBL6302269 0.86 MMP13 (0.60) GRK2GRK1GRK5MMP13SCD
SCHEMBL6298035 0.86 MMP13 (0.64) MMP13SCD
SCHEMBL29065789 0.83 GRK2 (0.65) GRK2GRK1GRK5MMP13
SCHEMBL4969416 0.83 GRK2 (0.65) GRK2GRK1GRK5MMP13SCD
SCHEMBL1500148 0.83 GRK2 (0.65) GRK2GRK1GRK5MMP13SCD
SCHEMBL29723994 0.83 GRK2 (0.65) GRK2GRK1GRK5MMP13SCD
SCHEMBL2491607 0.83 MMP13 (0.64) GRK2GRK1GRK5MMP13
SCHEMBL27660577 0.82 MMP13 (0.63) GRK2MMP13SCD
SCHEMBL29692294 0.82 SMN1; SMN2 (0.64) GRK2GRK1GRK5TNFCYP11B1
SCHEMBL16210930 0.82 SMN1; SMN2 (0.64) GRK2GRK1GRK5TNFCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270849-A1 Process for producing pyrimidin-4-one compound UBE INDUSTRIES, LTD. (JP) 2006-11-30 US disclosed
CN-1835930-A Process for producing pyrimidin-4-one compound UBE INDUSTRIES (JP) 2006-09-20 CN disclosed
EP-1637523-A1 PROCESS FOR PRODUCING PYRIMIDIN-4-ONE COMPOUND Ube Industries, Ltd. (JP) 2006-03-22 EP 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-20060270849-A1 Process for producing pyrimidin-4-one compound DDC, ODC1, APRT GRK2 2126/4885GRK1 1762/4885GRK5 2089/4885

“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.