SCHEMBL5454084

SCHEMBL5454084

Cn1c(=O)c2c(nc(N)n2C)n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
KMT2A Q03164 6/20 0.58
RXFP1 Q9HBX9 4/20 0.58
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.53
ADORA2A P29274 3/20 0.51
ADORA2B P29275 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51
PDE5A O76074 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL2403877 0.79 ADORA2B (0.69) KMT2ARXFP1CYP2C19MAPK1ADORA2A
SCHEMBL2704481 0.78 KMT2A (0.59) TSHRKMT2ARXFP1CYP2C19MAPK1
SCHEMBL17475359 0.76 KMT2A (0.58) TSHRKMT2ARXFP1CYP2C19MAPK1
SCHEMBL9067375 0.76 KMT2A (0.58) TSHRKMT2ARXFP1CYP2C19MAPK1
SCHEMBL10407513 0.76 KMT2A (0.58) TSHRKMT2ARXFP1CYP2C19MAPK1
SCHEMBL10668187 0.76 KMT2A (0.58) TSHRKMT2ARXFP1CYP2C19MAPK1
SCHEMBL2496142 0.76 CYP2C19 (0.61) KMT2ARXFP1CYP2C19MAPK1ADORA2A
SCHEMBL9123418 0.76 CYP2C19 (0.59) TSHRKMT2ARXFP1CYP2C19MAPK1
SCHEMBL22398941 0.76 KMT2A (0.58) KMT2ARXFP1CYP2C19MAPK1ADORA2A
SCHEMBL569368 0.76 KMT2A (0.58) KMT2ARXFP1CYP2C19MAPK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116650439-A Preparation method of Ankahuangmin capsules 广东稳健药业有限公司 2023-08-29 CN claimed
CN-104568534-B The assay method of Pu'er cooked tea green tea and flavouring essence quality 云南天士力帝泊洱生物茶集团有限公司 2018-08-28 CN claimed
CN-104568534-A Determination method for taste quality and aroma quality of Pu-Er ripe tea YUNNAN TASLY DEEPURE BIOLOG TEA GROUP CO LTD 2015-04-29 CN claimed
CN-117257744-A Ammoniacus Huang Minxiao pill, ammonia caffeine yellow sensitive capsule and preparation method thereof 广州白云山光华制药股份有限公司 2023-12-22 CN disclosed
CN-117257744-A Ammoniacus Huang Minxiao pill, ammonia caffeine yellow sensitive capsule and preparation method thereof 广州白云山光华制药股份有限公司 2023-12-22 CN disclosed
CN-116650439-A Preparation method of Ankahuangmin capsules 广东稳健药业有限公司 2023-08-29 CN disclosed
CN-104568534-B The assay method of Pu'er cooked tea green tea and flavouring essence quality 云南天士力帝泊洱生物茶集团有限公司 2018-08-28 CN disclosed
CN-108159349-A A kind of Chinese medicine preparation for treating migraine and preparation method thereof 王芬 2018-06-15 CN disclosed
CN-106974025-A A kind of green fall fire class drink and preparation method 安徽省天山茶业有限公司 2017-07-25 CN disclosed
CN-104568534-A Determination method for taste quality and aroma quality of Pu-Er ripe tea YUNNAN TASLY DEEPURE BIOLOG TEA GROUP CO LTD 2015-04-29 CN disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC (US) 2004-05-13 US disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US disclosed
US-5958933-A HAVING A GUANIDINO GROUP ALIPHATICALLY LINKED TO A XANTHINE GROUP, ADRENERGIC STIMULANTS NAFTCHI N ERIC (US) 1999-09-28 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-20040092536-A1 Neurologically active compounds and compounds with multiple activities ACHE, GRIN2A, GRIK2 TSHR 4454/4885KMT2A 1274/4885RXFP1 4617/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 TSHR 813/4885KMT2A 4167/4885RXFP1 537/4885

“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.