SCHEMBL5998976

SCHEMBL5998976

O=S(=O)(c1ccccc1)c1ncnc2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
TNNI3K Q59H18 5/20 0.46
BRD4 O60885 1/20 0.46
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
EGFR P00533 1/20 0.46
CSF1R P07333 1/20 0.46
NEK2 P51955 1/20 0.45
LMNA P02545 5/20 0.44
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CDK2 P24941 1/20 0.44
BRAF P15056 1/20 0.44
ROCK1 Q13464 1/20 0.44
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL7375459 0.75 HIF1A (0.54) HIF1ATNNI3KLMNACYP1A2MAPK1
SCHEMBL11415127 0.75 HIF1A (0.54) HIF1AEGFRCSF1RNEK2LMNA
SCHEMBL7375286 0.75 HSD17B10 (0.55) HIF1ABRD4LMNACYP1A2MAPK1
SCHEMBL30925386 0.71 HIF1A (0.61) HIF1ATNNI3KLMNACYP1A2CDK2
SCHEMBL2938675 0.68 AKT2 (0.70) CDC7DBF4EGFRCSF1RNEK2
SCHEMBL5829620 0.68 CDC7 (0.48) HIF1ABRD4CDC7DBF4EGFR
SCHEMBL11062732 0.66 KMT2A (0.54) LMNAMAPK1HTTRAB9AALDH1A1
SCHEMBL1060507 0.65 MKNK1 (0.72) TNNI3KEGFRLMNACYP1A2MAPK1
SCHEMBL796398 0.65 CDC7 (0.72) HIF1ACDC7DBF4EGFRCSF1R
SCHEMBL5384434 0.65 CDC7 (0.59) HIF1ACDC7DBF4EGFRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009642-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2006-01-12 US disclosed
US-6949644-B2 Methods for the synthesis of substituted purines IRM LLC (BM) 2005-09-27 US disclosed
EP-1529048-A4 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2005-09-14 EP disclosed
EP-1529048-A2 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2005-05-11 EP disclosed
US-20030171583-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2003-09-11 US disclosed
WO-2003031405-A2 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2003-04-17 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 (2 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-20060009642-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 HIF1A 3946/4885TNNI3K 4440/4885BRD4 1428/4885
US-20030171583-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 HIF1A 3943/4885TNNI3K 4424/4885BRD4 1457/4885

“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.