SCHEMBL3789548

SCHEMBL3789548

CN(C)c1cccc(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
NEK2 P51955 1/20 0.47
LIMK1 P53667 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GAA P10253 5/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.41
NR4A2 P43354 1/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 1/20 0.39
CA2 P00918 1/20 0.36
CD44 P16070 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL3786708 0.83 GAA (0.52) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL27539882 0.77 ALDH1A1 (0.38) GAAKMT2AMAPTKDM4EALDH1A1
SCHEMBL9614284 0.76 CHEK1 (0.50) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL19786 0.76 MAPT (0.46) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL113870 0.75 CHEK1 (0.60) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29707613 0.75 CHEK1 (0.60) CHEK1NEK2LIMK1DYRK1ACLK4
Fluoride SCHEMBL10978496 0.75 ALDH1A1 (0.36) GAAKMT2AMAPTKDM4EALDH1A1
SCHEMBL31689542 0.74 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5395552 0.74 MAPT (0.44) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29922382 0.74 CHEK1 (0.79) CHEK1NEK2LIMK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-6747051-B2 BLADDER UROGENITAL DISORDERS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-08 US disclosed
CN-1471514-A Novel M-amino-phenylimino-imidazolidone derivatives for treating urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-01-28 CN disclosed
US-20030158420-A1 m-Amino-phenylimino-imidazolidine derivatives for treaing urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-08-21 US disclosed
US-6602897-B2 For example, 2-((2-bromo-3-chloro-5-dimethylamino-6-methylphenyl)imino)imid azolidine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-05 US disclosed
EP-1328517-A2 NOVEL M-AMINO-PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma KG (DE) 2003-07-23 EP disclosed
US-20020161031-A1 m-amino-phenylimino-imidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-31 US disclosed
WO-2002032876-A2 NOVEL M-AMINO-PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 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 (3 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-20020161031-A1 m-amino-phenylimino-imidazolidine derivatives for treating urinary incontinence RXFP1, RXFP3, PRMT1 CHEK1 3272/4885NEK2 2364/4885LIMK1 4477/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CHEK1 2077/4885NEK2 812/4885LIMK1 4113/4885
US-20030158420-A1 m-Amino-phenylimino-imidazolidine derivatives for treaing urinary incontinence HRH2, RXFP3, AREG CHEK1 3338/4885NEK2 1830/4885LIMK1 4801/4885

“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.