SCHEMBL4455876

SCHEMBL4455876

Clc1cccc2c[c][nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
NOS1 P29475 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
DAO P14920 2/20 0.39
PSMB8 P28062 3/20 0.36
DYRK1A Q13627 2/20 0.36
CHEK1 O14757 1/20 0.35
FLT3 P36888 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
AR P10275 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL442426 0.73 CA12 (0.44) CA12CA9DAO
SCHEMBL4465569 0.73 CYP2A6 (0.39) AHRCA9CYP1A2CYP2A6DAO
SCHEMBL9740425 0.73 CYP1A2 (0.39) CA12CYP1A2DAOPSMB8MEN1
SCHEMBL12095832 0.71 DAO (0.48) AHRCA12CA9CYP1A2CYP2A6
SCHEMBL4477746 0.68 CA12 (0.41) CA12CA9CYP2A6DAOPSMB8
SCHEMBL3071940 0.68 KIF11 (0.42) MEN1GAAKMT2AL3MBTL1LMNA
SCHEMBL4329097 0.68 ALDH1A1 (0.48) CYP1A2CYP2A6MEN1KMT2ATSHR
SCHEMBL835944 0.66 MAPT (0.53) NOS1CYP1A2MEN1GAAKMT2A
SCHEMBL4269594 0.66 NR3C1 (0.37) CA9GAATSHRAR
SCHEMBL1560681 0.65 RXFP1 (0.36) DAODYRK1ALMNA

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
CN-101541765-A 3-piperidin-4-yl-indole ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-23 CN disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 AHR 187/4885NOS1 1004/4885CA12 4776/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG AHR 70/4885NOS1 1334/4885CA12 4750/4885

“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.