SCHEMBL478917

SCHEMBL478917

Nc1nc(N)c2nccnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 1.00
DHFR P00374 3/20 0.50
PIK3CG P48736 8/20 0.43
PDPK1 O15530 1/20 0.42
GDA Q9Y2T3 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
JAK2 O60674 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CTSG P08311 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL29941435 1.00 ADORA2A (1.00) ADORA2ADHFRPIK3CGPDPK1GDA
Hydrochloric Acid SCHEMBL6448601 0.98 ADORA2A (0.95) ADORA2ADHFRPIK3CGPDPK1GDA
Bromide SCHEMBL64823 0.98 ADORA2A (0.95) ADORA2ADHFRPIK3CGPDPK1GDA
Bromide SCHEMBL29767030 0.98 ADORA2A (0.95) ADORA2ADHFRPIK3CGPDPK1GDA
SCHEMBL30432637 0.83 ADORA2A (0.70) ADORA2ADHFRPIK3CGPDPK1GDA
SCHEMBL9014935 0.81 ADORA2A (0.66) ADORA2ADHFRPIK3CGPIK3CAPIK3CB
SCHEMBL23889475 0.77 ADORA2A (0.63) ADORA2ADHFRKDM4EALDH1A1LMNA
SCHEMBL19876656 0.77 ADORA2A (0.63) ADORA2ADHFR
SCHEMBL13186957 0.77 ADORA2A (0.63) ADORA2ADHFR
SCHEMBL22055303 0.77 ADORA2A (0.63) ADORA2ADHFRKDM4EALDH1A1LMNA

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125864-A1 SOLID PHARMACEUTICAL COMPOSITIONS COMPRISING BIOPTERIN DERIVATIVES AND USES OF SUCH COMPOSITIONS Vasopharm GmbH (DE) 2017-02-08 EP claimed
WO-2015150294-A1 SOLID PHARMACEUTICAL COMPOSITIONS COMPRISING BIOPTERIN DERIVATIVES AND USES OF SUCH COMPOSITIONS VASOPHARM GMBH (DE) 2015-10-08 WO claimed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP claimed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP claimed
US-7135550-B2 Compositions and methods for isolating ligand binding polypeptides for a user-specified ligand, and for isolating small molecule ligands for a user-specified target polypeptide using an improved class of hybrid ligand compounds GPC BIOTECH INC. (US) 2006-11-14 US claimed
EP-1364212-A4 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2005-05-04 EP claimed
CN-1543465-A Novel heterocyclic compounds as selective bacterial DHFR inhibitors and uses thereof ��������ҽѧ���޹�˾ 2004-11-03 CN claimed
US-20040043388-A1 Three hybrid assay system GPC BIOTECH AG (DE) 2004-03-04 US claimed
EP-1364212-A2 THREE HYBRID ASSAY SYSTEM GPC Biotech AG (DE) 2003-11-26 EP claimed
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance GPC BIOTECH AG (DE) 2003-09-04 US claimed
WO-2002070662-A2 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2002-09-12 WO claimed
US-20260048056-A1 SOLID PHARMACEUTICAL COMPOSITIONS COMPRISING BIOPTERIN DERIVATIVES AND USES OF SUCH COMPOSITIONS VASOPHARM GMBH (DE) 2026-02-19 US disclosed
CN-120988935-A Selective medium and method for screening or separating aeromonas 上海市农业科学院 2025-11-21 CN disclosed
US-12458644-B2 Process for preparing solutions comprising biopterin derivatives VASOPHARM GMBH (DE) 2025-11-04 US disclosed
US-20250114466-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2025-04-10 US disclosed
US-4374987-A FROM 2,4,5,6-TETRAMINOPYRIMIDINE SULFATE, 1,1,3-TRIBROMOACETONE AND A ZINC P-AMINOBENZOYLGLUTAMATE AMERICAN CYANAMID COMPANY (US) 1983-02-22 US disclosed
US-4369319-A TREATMENT OF LEUKEMIA AND TUMORS DEGRAW JR JOSEPH I (US) 1983-01-18 US disclosed
US-4080325-A REACTING TETRAAMINOPYRIMIDINE HYDROCHLORIDE WITH DIHYDROXYACETONE, MULTISTAGE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE 1978-03-21 US 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 (5 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-20250114466-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ADORA2A 3382/4885DHFR 1/4885PIK3CG 4353/4885
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance MST1R, PLAUR, SPR ADORA2A 4224/4885DHFR 1302/4885PIK3CG 3729/4885
US-12458644-B2 Process for preparing solutions comprising biopterin derivatives PPIP5K2, THPO, SLC20A2 ADORA2A 1216/4885DHFR 1727/4885PIK3CG 284/4885
US-20260048056-A1 SOLID PHARMACEUTICAL COMPOSITIONS COMPRISING BIOPTERIN DERIVATIVES AND USES OF SUCH COMPOSITIONS CYP11B2, CYP11B1, HSD11B2 ADORA2A 2179/4885DHFR 3142/4885PIK3CG 1086/4885
US-20040043388-A1 Three hybrid assay system ACKR3, KLK3, TIMCC ADORA2A 4045/4885DHFR 1425/4885PIK3CG 3441/4885

“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.