SCHEMBL3660280

SCHEMBL3660280

[CH2]c1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
PIK3CG P48736 3/20 0.50
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DHFR P00374 1/20 0.44
NOS1 P29475 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL3692533 0.79 ADORA2A (0.57) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3537607 0.78 ADORA2A (0.55) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL30965441 0.76 ADORA2A (0.53) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL63822 0.76 ADORA2A (0.53) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL14268538 0.76 ADORA2A (0.48) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
Bromide SCHEMBL11633687 0.74 ADORA2A (0.52) ADORA2APIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL14435374 0.73 NOS1 (0.55) DHFRNOS1
SCHEMBL30432658 0.73 NOS1 (0.55) DHFRNOS1
SCHEMBL64019 0.72 NOS1 (0.54) PIK3CGDHFRNOS1CA1CA2
SCHEMBL11631985 0.72 ADORA2A (0.48) ADORA2APIK3CGPIK3CAPIK3CBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S.R.L. (IT) 2010-12-02 US claimed
EP-2234998-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION Tydock Pharma S.r.l. (IT) 2010-10-06 EP claimed
WO-2009080367-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCKPHARMA S.R.L. (IT) 2009-07-02 WO claimed
EP-3893939-A1 NANOPARTICLE-BASED THERAPY OF INFLAMMATORY DISORDERS Midatech Ltd (GB) 2021-10-20 EP disclosed
WO-2020120787-A1 NANOPARTICLE-BASED THERAPY OF INFLAMMATORY DISORDERS MIDATECH LTD (GB) 2020-06-18 WO disclosed
EP-2234998-B1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S R L (IT) 2015-08-19 EP disclosed
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S.R.L. (IT) 2010-12-02 US disclosed
EP-2234998-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION Tydock Pharma S.r.l. (IT) 2010-10-06 EP disclosed
WO-2009080367-A2 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCKPHARMA S.R.L. (IT) 2009-07-02 WO disclosed
US-4079056-A REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-14 US disclosed
US-4077957-A INTERMEDIATE FOR METHOTREXATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-07 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 (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-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION QDPR, DHFR, DDC ADORA2A 1687/4885PIK3CG 3307/4885PIK3CA 2982/4885

“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.