SCHEMBL516456

SCHEMBL516456

Cn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
CYP2C19 P33261 2/20 0.73
TSHR P16473 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PABPC1 P11940 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
HSD17B10 Q99714 3/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
BLM P54132 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP3A4 P08684 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 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
Ammonia Solution, Strong SCHEMBL8547494 0.99 ALDH1A1 (0.71) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL13609261 0.89 PABPC1 (0.73) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL16029332 0.88 ALDH1A1 (0.71) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL4613444 0.86 RXFP1 (0.67) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL13609275 0.86 RXFP1 (0.60) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL16029379 0.85 ALDH1A1 (0.58) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL8620381 0.85 ALDH1A1 (0.58) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL10350972 0.84 RXFP1 (0.65) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL22521838 0.84 RXFP1 (0.65) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1
SCHEMBL4226426 0.84 ALDH1A1 (1.00) ALDH1A1CYP2C19TSHRSMN1; SMN2PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117919253-A Application of xanthine compound in preparation of medicines for activating primordial follicles 华南理工大学 2024-04-26 CN claimed
EP-0680479-B1 METHOD FOR PREPARING BAMIFYLLINE AND ETAMIPHYLLINE NYCOMED CHRISTIAENS NV SA (BE) 1999-03-17 EP claimed
US-5739331-A PREPARING BAMIFYLLINE AND ETAMIPHYLLINE S.A. NYCOMED CHRISTIAENS N.V. (BE) 1998-04-14 US claimed
EP-0680479-A1 METHOD FOR CONVERTING A XANTHINE RING OR DERIVATIVES THEREOF INTO DIALKYLAMINO-XANTHINE DERIVATIVES S.A. NYCOMED CHRISTIAENS N.V. (BE) 1995-11-08 EP claimed
WO-1994017064-A1 METHOD FOR CONVERTING A XANTHINE RING OR DERIVATIVES THEREOF INTO DIALKYLAMINO-XANTHINE DERIVATIVES S.A. NYCOMED CHRISTIAENS N.V. (BE) 1994-08-04 WO claimed
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
US-12089621-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2024-09-17 US disclosed
CN-117919253-A Application of xanthine compound in preparation of medicines for activating primordial follicles 华南理工大学 2024-04-26 CN disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed
EP-0680479-B1 METHOD FOR PREPARING BAMIFYLLINE AND ETAMIPHYLLINE NYCOMED CHRISTIAENS NV SA (BE) 1999-03-17 EP disclosed
US-5739331-A PREPARING BAMIFYLLINE AND ETAMIPHYLLINE S.A. NYCOMED CHRISTIAENS N.V. (BE) 1998-04-14 US disclosed
US-5739331-A PREPARING BAMIFYLLINE AND ETAMIPHYLLINE S.A. NYCOMED CHRISTIAENS N.V. (BE) 1998-04-14 US disclosed
EP-0680479-A1 METHOD FOR CONVERTING A XANTHINE RING OR DERIVATIVES THEREOF INTO DIALKYLAMINO-XANTHINE DERIVATIVES S.A. NYCOMED CHRISTIAENS N.V. (BE) 1995-11-08 EP disclosed
WO-1994017064-A1 METHOD FOR CONVERTING A XANTHINE RING OR DERIVATIVES THEREOF INTO DIALKYLAMINO-XANTHINE DERIVATIVES S.A. NYCOMED CHRISTIAENS N.V. (BE) 1994-08-04 WO disclosed
US-4942143-A Imidazothiadiazine derivatives, and their use as medicaments HOECHST JAPAN LIMITED (JP) 1990-07-17 US disclosed
EP-0286041-A1 Imidazothiadiazine derivatives, a process for preparing the same and their use as medicaments HOECHST JAPAN LIMITED (JP) 1988-10-12 EP 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-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 ALDH1A1 4338/4885CYP2C19 3485/4885TSHR 3501/4885

“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.