SCHEMBL557499

SCHEMBL557499

O=C(c1ccn2c(I)cnc2c1)N1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.45
HPGD P15428 2/20 0.42
PDK2 Q15119 1/20 0.41
ATR Q13535 1/20 0.40
RAB9A P51151 2/20 0.39
LRRK2 Q5S007 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.39
PDE4B Q07343 1/20 0.38
CBLB Q13191 2/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CDK19 Q9BWU1 1/20 0.38

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
SCHEMBL557606 0.90 HPGD (0.42) VNN1HPGDPDK2PDE4BCCNC
SCHEMBL557605 0.82 HPGD (0.55) HPGD
SCHEMBL557737 0.82 HPGD (0.58) HPGD
SCHEMBL17350579 0.77 HSD11B1 (0.48) VNN1HPGDPDK2ATRRAB9A
SCHEMBL10174957 0.76 PLAU (0.37) HPGDRAB9ANPC1
SCHEMBL563331 0.73 KDM4E (0.43) HPGDRAB9ANPC1
SCHEMBL1447833 0.70 MGLL (0.55) VNN1PDK2HDAC4
SCHEMBL1448268 0.70 MGLL (0.55) VNN1PDK2HDAC4
SCHEMBL21212226 0.70 PROKR1 (0.62) VNN1HPGDPDK2RAB9ANPC1
SCHEMBL34463038 0.70 PDK2 (0.49) VNN1HPGDPDK2RAB9ANPC1

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 VNN1 4769/4885HPGD 1667/4885PDK2 294/4885
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 VNN1 4769/4885HPGD 1667/4885PDK2 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.