SCHEMBL557605

SCHEMBL557605

O=C(c1ccn2c(I)cnc2c1)N1CCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.55
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 4/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL557737 0.97 HPGD (0.58) HPGDALDH1A1POLBADORA2AAKT1
SCHEMBL557606 0.84 HPGD (0.42) HPGDHSD17B10
SCHEMBL557499 0.82 VNN1 (0.45) HPGD
SCHEMBL10174957 0.76 PLAU (0.37) HPGDSMN1; SMN2ALDH1A1
SCHEMBL17350917 0.74 CSF1R (0.41) HPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17350560 0.74 RIPK2 (0.44) ALDH1A1AKT1AKT2
SCHEMBL557497 0.74 JMJD6 (0.42) HPGDSMN1; SMN2ALDH1A1HSD17B10AKT1
SCHEMBL17350547 0.72 HSD11B1 (0.51) HPGDSMN1; SMN2ALDH1A1HSD17B10GRIA3
SCHEMBL23675137 0.71 HPGD (0.64) HPGDSMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL31525 0.71 HPGD (0.77) HPGDSMN1; SMN2ALDH1A1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203449-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-04-27 EP disclosed
EP-2197880-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-12-23 EP disclosed
US-8859582-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-10-14 US 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-20120035152-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-8071614-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-12-06 US disclosed
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2010-12-30 US disclosed
US-20100286113-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2010-11-11 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 (4 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 1667/4885SMN1; SMN2 4122/4885ALDH1A1 3442/4885
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 HPGD 1667/4885SMN1; SMN2 4122/4885ALDH1A1 3442/4885
US-20100286113-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, BTK HPGD 2230/4885SMN1; SMN2 4475/4885ALDH1A1 3554/4885
US-20120035152-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, BTK HPGD 2230/4885SMN1; SMN2 4475/4885ALDH1A1 3554/4885

“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.