SCHEMBL557606

SCHEMBL557606

O=C(c1ccn2c(I)cnc2c1)N1CC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
VNN1 O95497 4/20 0.40
PDK2 Q15119 1/20 0.37
PDE4B Q07343 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
PLAU P00749 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GRIN2B Q13224 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PADI4 Q9UM07 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL557499 0.90 VNN1 (0.45) HPGDVNN1PDK2PDE4BCCNC
SCHEMBL557605 0.84 HPGD (0.55) HPGDHSD17B10
SCHEMBL557737 0.84 HPGD (0.58) HPGD
SCHEMBL563331 0.77 KDM4E (0.43) HPGDPLAU
SCHEMBL10174957 0.77 PLAU (0.37) HPGDPLAU
SCHEMBL557149 0.76 RIPK2 (0.39) HPGDPLAU
SCHEMBL17350676 0.74 HSD11B1 (0.47) VNN1PDK2HSD17B10PROKR1CHRNB2
SCHEMBL17350917 0.72 CSF1R (0.41) HPGDHSD17B10
SCHEMBL17350560 0.72 RIPK2 (0.44) PLAU
SCHEMBL1431796 0.72 PLAU (0.43) PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197880-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-12-23 EP disclosed
US-8859583-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-10-14 US disclosed
US-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 US disclosed
US-8076354-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-12-13 US disclosed
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2010-12-30 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 (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-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 HPGD 1667/4885VNN1 4769/4885PDK2 294/4885
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 HPGD 1667/4885VNN1 4769/4885PDK2 294/4885

“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.