SCHEMBL84401

SCHEMBL84401

CC(C)c1ccnc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.52
NOS2 P35228 5/20 0.52
NOS1 P29475 4/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CBLB Q13191 1/20 0.47
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41

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
SCHEMBL4322612 0.84 NOS3 (0.50) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL30953518 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL514592 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL22838450 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL13391128 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL12204679 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL318126 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL19077800 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL30101542 0.82 NOS3 (0.47) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL2117843 0.82 NOS3 (0.47) NOS3NOS2NOS1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291516-B2 Substituted 1-amino-1H-imidazole-5-carboxamide as Bruton's tyrosine kinase inhibitors HENAN ZHIWEI BIOMEDICINE CO., LTD. (CN) 2025-05-06 US disclosed
EP-3966204-B1 SUBSTITUTED 1-AMINO-1H-IMIDAZOLE-5-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN ZHIWEI BIOMEDICINE CO LTD (CN) 2024-11-27 EP disclosed
US-20240360120-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2024-10-31 US disclosed
EP-3938358-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2024-10-02 EP disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
US-3965100-A 2,3-Dihydrocyclopenta[d]pyrido[1,2-a]pyrimidin-10(1H)-one and its derivatives E. R. SQUIBB & SONS, INC. (US) 1976-06-22 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 (7 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX NOS3 530/4885NOS2 640/4885NOS1 346/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX NOS3 235/4885NOS2 203/4885NOS1 137/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD NOS3 1849/4885NOS2 3128/4885NOS1 3585/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 NOS3 332/4885NOS2 456/4885NOS1 197/4885
US-12291516-B2 Substituted 1-amino-1H-imidazole-5-carboxamide as Bruton's tyrosine kinase inhibitors BTK, SYK, TYK2 NOS3 1751/4885NOS2 1272/4885NOS1 759/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP NOS3 4183/4885NOS2 4586/4885NOS1 4189/4885
US-20240360120-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L NOS3 4221/4885NOS2 3910/4885NOS1 3459/4885

“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.