SCHEMBL897036

SCHEMBL897036

Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 6/20 1.00
PDE1B Q01064 6/20 1.00
PDE1C Q14123 6/20 1.00
PDE2A O00408 3/20 1.00
PDE5A O76074 9/20 0.69
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
TSHR P16473 2/20 0.66
MEN1 O00255 2/20 0.66
CYP2C19 P33261 2/20 0.66
BLM P54132 2/20 0.66
KMT2A Q03164 2/20 0.66
MAPK1 P28482 2/20 0.58
CFTR P13569 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA1 P30542 1/20 0.58
SCN1A P35498 1/20 0.58
PDE6C P51160 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58

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
SCHEMBL2917587 0.88 PDE1A (0.78) PDE1APDE1BPDE1CPDE2APDE5A
Verofylline SCHEMBL636856 0.87 PDE1A (0.78) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL1460835 0.86 PDE1A (0.75) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL11607287 0.85 PDE1A (0.74) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL10855561 0.85 PDE2A (0.73) PDE1APDE1BPDE1CPDE2AADORA1
SCHEMBL6869474 0.84 PDE1A (0.72) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL4623475 0.83 PDE1A (0.71) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL2917588 0.83 PDE5A (0.74) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL25249437 0.82 PDE1A (0.69) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL9121409 0.82 PDE1A (1.00) PDE1APDE1BPDE1CPDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525329-A INCREASED SENSITIVITY TO ODORS THE JOHNS HOPKINS UNIVERSITY (US) 1996-06-11 US claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
US-4089959-A Long-acting xanthine bronchodilators and antiallergy agents COOPER LABORATORIES, INC. (US) 1978-05-16 US claimed
US-20260109783-A1 ISOLATION OF ADULT MULTIPOTENTIAL CELLS BY TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE MESOBLAST, INC. (US) 2026-04-23 US disclosed
US-12275801-B2 Isolation of adult multipotential cells by tissue non-specific alkaline phosphatase MESOBLAST, INC. (US) 2025-04-15 US disclosed
US-20240101961-A1 Multipotential Expanded Mesenchymal Precursor Cell Progeny (MEMP) and Uses Thereof MESOBLAST, INC. (US) 2024-03-28 US disclosed
US-20210355447-A1 Multipotential Expanded Mesenchymal Precursor Cell Progeny (MEMP) and Uses Thereof MESOBLAST, INC. (US) 2021-11-18 US disclosed
US-20200332023-A1 ISOLATION OF ADULT MULTIPOTENTIAL CELLS BY TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE MESOBLAST, INC. (US) 2020-10-22 US disclosed
US-10609922-B2 Protection of progenitor cells and regulation of their differentiation PROTEOBIOACTIVES PTY LTD (AU) 2020-04-07 US disclosed
EP-2380971-B1 PERIVASCULAR MESENCHYMAL PRECURSOR CELLS MESOBLAST INC (US) 2020-02-12 EP disclosed
WO-1997032898-A1 ANTI-INFLAMMATORY CRF ANALOGS, THEIR COMPOSITIONS AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-12 WO disclosed
US-5648387-A Carboxyalkylethers, formulations, and treatment of vascular diseases WARNER-LAMBERT COMPANY (US) 1997-07-15 US disclosed
WO-1996030328-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed
US-4089959-A Long-acting xanthine bronchodilators and antiallergy agents COOPER LABORATORIES, INC. (US) 1978-05-16 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-10609922-B2 Protection of progenitor cells and regulation of their differentiation CD44, MCL1, NES PDE1A 4165/4885PDE1B 3791/4885PDE1C 3973/4885
US-20260109783-A1 ISOLATION OF ADULT MULTIPOTENTIAL CELLS BY TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE ALPP, S100P, ALPG PDE1A 249/4885PDE1B 297/4885PDE1C 222/4885

“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.