SCHEMBL4154606

SCHEMBL4154606

CN(C)c1ccc(NC(=N)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
ALDH1A1 P00352 5/20 0.66
GAA P10253 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 3/20 0.66
ADRA2A P08913 5/20 0.51
RAB9A P51151 4/20 0.47
NOX1 Q9Y5S8 3/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 1/20 0.47
ESR2 Q92731 1/20 0.47
NR4A1 P22736 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
HBB P68871 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46

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
Nitric Acid SCHEMBL2076691 0.88 MAPT (0.53) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL1996992 0.82 F2 (0.50) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL3238888 0.81 ADRA2A (0.50) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL10310275 0.80 MAPT (0.56) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6926083 0.79 MAPT (1.00) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL1379670 0.79 MAPT (0.66) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL9725156 0.79 MAPT (0.78) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6703272 0.78 NOX1 (0.54) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL10310226 0.77 MEN1 (0.52) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL15986778 0.77 ADRA2A (0.43) MAPTALDH1A1GAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114096550-B Modified nucleosides and methods of synthesis thereof 斯微(上海)生物科技股份有限公司 2023-04-14 CN disclosed
CN-114096550-A Modified nucleosides and methods of synthesis thereof 斯微(上海)生物科技股份有限公司 2022-02-25 CN disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 MAPT 2289/4885ALDH1A1 3103/4885GAA 2384/4885
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 MAPT 2054/4885ALDH1A1 2743/4885GAA 1172/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 MAPT 2289/4885ALDH1A1 3103/4885GAA 2384/4885
US-20100160332-A1 a2-Adrenoceptor Ligands ADRB2, ADRA2A, ADRA2C MAPT 3349/4885ALDH1A1 642/4885GAA 2682/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 MAPT 2133/4885ALDH1A1 2550/4885GAA 275/4885

“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.